# Fileset [phonopy_params.yaml.xz](https://mdr.nims.go.jp/filesets/b742a989-02c4-477b-b440-dbdf9df557e1/download) ## Creator [Atsushi Togo](https://orcid.org/0000-0001-8393-9766) ## Rights Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/) ## Other metadata [Ab-initio phonon calculation for CaPH5O6 / Cc (9) / materials id 24389](https://mdr.nims.go.jp/datasets/a294d6e7-b9f6-486d-b653-b1c79d0abe42) ## Fulltext phonopy: version: 2.17.1 frequency_unit_conversion_factor: 15.633302 symmetry_tolerance: 1.00000e-05 configuration: save_params: ".true."physical_unit: atomic_mass: "AMU" length: "angstrom" force_constants: "eV/angstrom^2"space_group: type: "Cc" number: 9 Hall_symbol: "C -2yc"primitive_matrix:- [ 0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ -0.500000000000000, 0.500000000000000, 0.000000000000000 ]- [ 0.000000000000000, 0.000000000000000, 1.000000000000000 ]supercell_matrix:- [ 1, 0, 0 ]- [ 0, 1, 0 ]- [ 0, 0, 2 ]primitive_cell: lattice: - [ 3.158301905000000, -7.431665465000000, -0.015212930000000 ] # a - [ 3.158301905000000, 7.431665465000000, -0.015212930000000 ] # b - [ -2.865414400000000, 0.000000000000000, 5.037889140000000 ] # c points: - symbol: H # 1 coordinates: [ 0.339364490000000, 0.471965470000000, 0.154369520000000 ] mass: 1.007940 - symbol: H # 2 coordinates: [ 0.471965470000000, 0.339364490000000, 0.654369520000000 ] mass: 1.007940 - symbol: H # 3 coordinates: [ 0.251219120000000, 0.220477220000000, 0.993889930000000 ] mass: 1.007940 - symbol: H # 4 coordinates: [ 0.220477220000000, 0.251219120000000, 0.493889930000000 ] mass: 1.007940 - symbol: H # 5 coordinates: [ 0.732870340000000, 0.743876920000000, 0.389904130000000 ] mass: 1.007940 - symbol: H # 6 coordinates: [ 0.743876920000000, 0.732870340000000, 0.889904130000000 ] mass: 1.007940 - symbol: H # 7 coordinates: [ 0.028840830000000, 0.378633050000000, 0.354172090000000 ] mass: 1.007940 - symbol: H # 8 coordinates: [ 0.378633050000000, 0.028840830000000, 0.854172090000000 ] mass: 1.007940 - symbol: H # 9 coordinates: [ 0.659893840000000, 0.833747280000000, 0.211452160000000 ] mass: 1.007940 - symbol: H # 10 coordinates: [ 0.833747280000000, 0.659893840000000, 0.711452160000000 ] mass: 1.007940 - symbol: O # 11 coordinates: [ 0.603750790000000, 0.814156610000000, 0.907142060000000 ] mass: 15.999400 - symbol: O # 12 coordinates: [ 0.364903450000000, 0.863707290000000, 0.653710610000000 ] mass: 15.999400 - symbol: O # 13 coordinates: [ 0.811934390000000, 0.665909390000000, 0.877314160000000 ] mass: 15.999400 - symbol: O # 14 coordinates: [ 0.665909390000000, 0.811934390000000, 0.377314160000000 ] mass: 15.999400 - symbol: O # 15 coordinates: [ 0.289106690000000, 0.186876750000000, 0.509932330000000 ] mass: 15.999400 - symbol: O # 16 coordinates: [ 0.186876750000000, 0.289106690000000, 0.009932330000000 ] mass: 15.999400 - symbol: O # 17 coordinates: [ 0.198722710000000, 0.637287450000000, 0.938483240000000 ] mass: 15.999400 - symbol: O # 18 coordinates: [ 0.637287450000000, 0.198722710000000, 0.438483240000000 ] mass: 15.999400 - symbol: O # 19 coordinates: [ 0.147213030000000, 0.411049570000000, 0.518923780000000 ] mass: 15.999400 - symbol: O # 20 coordinates: [ 0.411049570000000, 0.147213030000000, 0.018923780000000 ] mass: 15.999400 - symbol: O # 21 coordinates: [ 0.863707290000000, 0.364903450000000, 0.153710610000000 ] mass: 15.999400 - symbol: O # 22 coordinates: [ 0.814156610000000, 0.603750790000000, 0.407142060000000 ] mass: 15.999400 - symbol: P # 23 coordinates: [ 0.334677620000000, 0.689337460000000, 0.766790890000000 ] mass: 30.973762 - symbol: P # 24 coordinates: [ 0.689337460000000, 0.334677620000000, 0.266790890000000 ] mass: 30.973762 - symbol: Ca # 25 coordinates: [ 0.826591260000000, 0.164687100000000, 0.751015090000000 ] mass: 40.078000 - symbol: Ca # 26 coordinates: [ 0.164687100000000, 0.826591260000000, 0.251015090000000 ] mass: 40.078000 reciprocal_lattice: # without 2pi - [ 0.158747837496983, -0.067279669995210, 0.090291454792258 ] # a* - [ 0.158747837496983, 0.067279669995210, 0.090291454792258 ] # b* - [ 0.000958742708456, 0.000000000000000, 0.199041139512392 ] # c*unit_cell: lattice: - [ 6.316603810000000, 0.000000000000000, -0.030425860000000 ] # a - [ 0.000000000000000, 14.863330930000000, 0.000000000000000 ] # b - [ -2.865414400000000, 0.000000000000000, 5.037889140000000 ] # c points: - symbol: H # 1 coordinates: [ 0.905664980000000, 0.566300490000000, 0.154369520000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.405664980000000, 0.933699510000000, 0.654369520000000 ] mass: 1.007940 reduced_to: 2 - symbol: H # 3 coordinates: [ 0.235848170000000, 0.984629050000000, 0.993889930000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 4 coordinates: [ 0.735848170000000, 0.515370950000000, 0.493889930000000 ] mass: 1.007940 reduced_to: 4 - symbol: H # 5 coordinates: [ 0.238373630000000, 0.505503290000000, 0.389904130000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.738373630000000, 0.994496710000000, 0.889904130000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 7 coordinates: [ 0.703736940000000, 0.674896110000000, 0.354172090000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.203736940000000, 0.825103890000000, 0.854172090000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 9 coordinates: [ 0.246820560000000, 0.586926720000000, 0.211452160000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.746820560000000, 0.913073280000000, 0.711452160000000 ] mass: 1.007940 reduced_to: 10 - symbol: H # 11 coordinates: [ 0.405664980000000, 0.066300490000000, 0.154369520000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 12 coordinates: [ 0.905664980000000, 0.433699510000000, 0.654369520000000 ] mass: 1.007940 reduced_to: 2 - symbol: H # 13 coordinates: [ 0.735848170000000, 0.484629050000000, 0.993889930000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 14 coordinates: [ 0.235848170000000, 0.015370950000000, 0.493889930000000 ] mass: 1.007940 reduced_to: 4 - symbol: H # 15 coordinates: [ 0.738373630000000, 0.005503290000000, 0.389904130000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 16 coordinates: [ 0.238373630000000, 0.494496710000000, 0.889904130000000 ] mass: 1.007940 reduced_to: 6 - symbol: H # 17 coordinates: [ 0.203736940000000, 0.174896110000000, 0.354172090000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 18 coordinates: [ 0.703736940000000, 0.325103890000000, 0.854172090000000 ] mass: 1.007940 reduced_to: 8 - symbol: H # 19 coordinates: [ 0.746820560000000, 0.086926720000000, 0.211452160000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 20 coordinates: [ 0.246820560000000, 0.413073280000000, 0.711452160000000 ] mass: 1.007940 reduced_to: 10 - symbol: O # 21 coordinates: [ 0.208953700000000, 0.605202910000000, 0.907142060000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 22 coordinates: [ 0.114305370000000, 0.749401920000000, 0.653710610000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 23 coordinates: [ 0.738921890000000, 0.926987500000000, 0.877314160000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 24 coordinates: [ 0.238921890000000, 0.573012500000000, 0.377314160000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 25 coordinates: [ 0.237991720000000, 0.948885030000000, 0.509932330000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 26 coordinates: [ 0.737991720000000, 0.551114970000000, 0.009932330000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 27 coordinates: [ 0.918005080000000, 0.719282370000000, 0.938483240000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 28 coordinates: [ 0.418005080000000, 0.780717630000000, 0.438483240000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 29 coordinates: [ 0.779131300000000, 0.631918270000000, 0.518923780000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 30 coordinates: [ 0.279131300000000, 0.868081730000000, 0.018923780000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 31 coordinates: [ 0.614305370000000, 0.750598080000000, 0.153710610000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 32 coordinates: [ 0.708953700000000, 0.894797090000000, 0.407142060000000 ] mass: 15.999400 reduced_to: 32 - symbol: O # 33 coordinates: [ 0.708953700000000, 0.105202910000000, 0.907142060000000 ] mass: 15.999400 reduced_to: 21 - symbol: O # 34 coordinates: [ 0.614305370000000, 0.249401920000000, 0.653710610000000 ] mass: 15.999400 reduced_to: 22 - symbol: O # 35 coordinates: [ 0.238921890000000, 0.426987500000000, 0.877314160000000 ] mass: 15.999400 reduced_to: 23 - symbol: O # 36 coordinates: [ 0.738921890000000, 0.073012500000000, 0.377314160000000 ] mass: 15.999400 reduced_to: 24 - symbol: O # 37 coordinates: [ 0.737991720000000, 0.448885030000000, 0.509932330000000 ] mass: 15.999400 reduced_to: 25 - symbol: O # 38 coordinates: [ 0.237991720000000, 0.051114970000000, 0.009932330000000 ] mass: 15.999400 reduced_to: 26 - symbol: O # 39 coordinates: [ 0.418005080000000, 0.219282370000000, 0.938483240000000 ] mass: 15.999400 reduced_to: 27 - symbol: O # 40 coordinates: [ 0.918005080000000, 0.280717630000000, 0.438483240000000 ] mass: 15.999400 reduced_to: 28 - symbol: O # 41 coordinates: [ 0.279131300000000, 0.131918270000000, 0.518923780000000 ] mass: 15.999400 reduced_to: 29 - symbol: O # 42 coordinates: [ 0.779131300000000, 0.368081730000000, 0.018923780000000 ] mass: 15.999400 reduced_to: 30 - symbol: O # 43 coordinates: [ 0.114305370000000, 0.250598080000000, 0.153710610000000 ] mass: 15.999400 reduced_to: 31 - symbol: O # 44 coordinates: [ 0.208953700000000, 0.394797090000000, 0.407142060000000 ] mass: 15.999400 reduced_to: 32 - symbol: P # 45 coordinates: [ 0.012007540000000, 0.677329920000000, 0.766790890000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 46 coordinates: [ 0.512007540000000, 0.822670080000000, 0.266790890000000 ] mass: 30.973762 reduced_to: 46 - symbol: P # 47 coordinates: [ 0.512007540000000, 0.177329920000000, 0.766790890000000 ] mass: 30.973762 reduced_to: 45 - symbol: P # 48 coordinates: [ 0.012007540000000, 0.322670080000000, 0.266790890000000 ] mass: 30.973762 reduced_to: 46 - symbol: Ca # 49 coordinates: [ 0.495639180000000, 0.669047920000000, 0.751015090000000 ] mass: 40.078000 reduced_to: 49 - symbol: Ca # 50 coordinates: [ 0.995639180000000, 0.830952080000000, 0.251015090000000 ] mass: 40.078000 reduced_to: 50 - symbol: Ca # 51 coordinates: [ 0.995639180000000, 0.169047920000000, 0.751015090000000 ] mass: 40.078000 reduced_to: 49 - symbol: Ca # 52 coordinates: [ 0.495639180000000, 0.330952080000000, 0.251015090000000 ] mass: 40.078000 reduced_to: 50supercell: lattice: - [ 6.316603810000000, 0.000000000000000, -0.030425860000000 ] # a - [ 0.000000000000000, 14.863330930000000, 0.000000000000000 ] # b - [ -5.730828800000000, 0.000000000000000, 10.075778280000000 ] # c points: - symbol: H # 1 coordinates: [ 0.905664980000000, 0.566300490000000, 0.077184760000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 2 coordinates: [ 0.905664980000000, 0.566300490000000, 0.577184760000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 3 coordinates: [ 0.405664980000000, 0.933699510000000, 0.327184760000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 4 coordinates: [ 0.405664980000000, 0.933699510000000, 0.827184760000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 5 coordinates: [ 0.235848170000000, 0.984629050000000, 0.496944965000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 6 coordinates: [ 0.235848170000000, 0.984629050000000, 0.996944965000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 7 coordinates: [ 0.735848170000000, 0.515370950000000, 0.246944965000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 8 coordinates: [ 0.735848170000000, 0.515370950000000, 0.746944965000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 9 coordinates: [ 0.238373630000000, 0.505503290000000, 0.194952065000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 10 coordinates: [ 0.238373630000000, 0.505503290000000, 0.694952065000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 11 coordinates: [ 0.738373630000000, 0.994496710000000, 0.444952065000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 12 coordinates: [ 0.738373630000000, 0.994496710000000, 0.944952065000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 13 coordinates: [ 0.703736940000000, 0.674896110000000, 0.177086045000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 14 coordinates: [ 0.703736940000000, 0.674896110000000, 0.677086045000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 15 coordinates: [ 0.203736940000000, 0.825103890000000, 0.427086045000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 16 coordinates: [ 0.203736940000000, 0.825103890000000, 0.927086045000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 17 coordinates: [ 0.246820560000000, 0.586926720000000, 0.105726080000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 18 coordinates: [ 0.246820560000000, 0.586926720000000, 0.605726080000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 19 coordinates: [ 0.746820560000000, 0.913073280000000, 0.355726080000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 20 coordinates: [ 0.746820560000000, 0.913073280000000, 0.855726080000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 21 coordinates: [ 0.405664980000000, 0.066300490000000, 0.077184760000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 22 coordinates: [ 0.405664980000000, 0.066300490000000, 0.577184760000000 ] mass: 1.007940 reduced_to: 1 - symbol: H # 23 coordinates: [ 0.905664980000000, 0.433699510000000, 0.327184760000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 24 coordinates: [ 0.905664980000000, 0.433699510000000, 0.827184760000000 ] mass: 1.007940 reduced_to: 3 - symbol: H # 25 coordinates: [ 0.735848170000000, 0.484629050000000, 0.496944965000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 26 coordinates: [ 0.735848170000000, 0.484629050000000, 0.996944965000000 ] mass: 1.007940 reduced_to: 5 - symbol: H # 27 coordinates: [ 0.235848170000000, 0.015370950000000, 0.246944965000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 28 coordinates: [ 0.235848170000000, 0.015370950000000, 0.746944965000000 ] mass: 1.007940 reduced_to: 7 - symbol: H # 29 coordinates: [ 0.738373630000000, 0.005503290000000, 0.194952065000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 30 coordinates: [ 0.738373630000000, 0.005503290000000, 0.694952065000000 ] mass: 1.007940 reduced_to: 9 - symbol: H # 31 coordinates: [ 0.238373630000000, 0.494496710000000, 0.444952065000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 32 coordinates: [ 0.238373630000000, 0.494496710000000, 0.944952065000000 ] mass: 1.007940 reduced_to: 11 - symbol: H # 33 coordinates: [ 0.203736940000000, 0.174896110000000, 0.177086045000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 34 coordinates: [ 0.203736940000000, 0.174896110000000, 0.677086045000000 ] mass: 1.007940 reduced_to: 13 - symbol: H # 35 coordinates: [ 0.703736940000000, 0.325103890000000, 0.427086045000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 36 coordinates: [ 0.703736940000000, 0.325103890000000, 0.927086045000000 ] mass: 1.007940 reduced_to: 15 - symbol: H # 37 coordinates: [ 0.746820560000000, 0.086926720000000, 0.105726080000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 38 coordinates: [ 0.746820560000000, 0.086926720000000, 0.605726080000000 ] mass: 1.007940 reduced_to: 17 - symbol: H # 39 coordinates: [ 0.246820560000000, 0.413073280000000, 0.355726080000000 ] mass: 1.007940 reduced_to: 19 - symbol: H # 40 coordinates: [ 0.246820560000000, 0.413073280000000, 0.855726080000000 ] mass: 1.007940 reduced_to: 19 - symbol: O # 41 coordinates: [ 0.208953700000000, 0.605202910000000, 0.453571030000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 42 coordinates: [ 0.208953700000000, 0.605202910000000, 0.953571030000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 43 coordinates: [ 0.114305370000000, 0.749401920000000, 0.326855305000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 44 coordinates: [ 0.114305370000000, 0.749401920000000, 0.826855305000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 45 coordinates: [ 0.738921890000000, 0.926987500000000, 0.438657080000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 46 coordinates: [ 0.738921890000000, 0.926987500000000, 0.938657080000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 47 coordinates: [ 0.238921890000000, 0.573012500000000, 0.188657080000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 48 coordinates: [ 0.238921890000000, 0.573012500000000, 0.688657080000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 49 coordinates: [ 0.237991720000000, 0.948885030000000, 0.254966165000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 50 coordinates: [ 0.237991720000000, 0.948885030000000, 0.754966165000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 51 coordinates: [ 0.737991720000000, 0.551114970000000, 0.004966165000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 52 coordinates: [ 0.737991720000000, 0.551114970000000, 0.504966165000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 53 coordinates: [ 0.918005080000000, 0.719282370000000, 0.469241620000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 54 coordinates: [ 0.918005080000000, 0.719282370000000, 0.969241620000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 55 coordinates: [ 0.418005080000000, 0.780717630000000, 0.219241620000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 56 coordinates: [ 0.418005080000000, 0.780717630000000, 0.719241620000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 57 coordinates: [ 0.779131300000000, 0.631918270000000, 0.259461890000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 58 coordinates: [ 0.779131300000000, 0.631918270000000, 0.759461890000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 59 coordinates: [ 0.279131300000000, 0.868081730000000, 0.009461890000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 60 coordinates: [ 0.279131300000000, 0.868081730000000, 0.509461890000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 61 coordinates: [ 0.614305370000000, 0.750598080000000, 0.076855305000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 62 coordinates: [ 0.614305370000000, 0.750598080000000, 0.576855305000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 63 coordinates: [ 0.708953700000000, 0.894797090000000, 0.203571030000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 64 coordinates: [ 0.708953700000000, 0.894797090000000, 0.703571030000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 65 coordinates: [ 0.708953700000000, 0.105202910000000, 0.453571030000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 66 coordinates: [ 0.708953700000000, 0.105202910000000, 0.953571030000000 ] mass: 15.999400 reduced_to: 41 - symbol: O # 67 coordinates: [ 0.614305370000000, 0.249401920000000, 0.326855305000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 68 coordinates: [ 0.614305370000000, 0.249401920000000, 0.826855305000000 ] mass: 15.999400 reduced_to: 43 - symbol: O # 69 coordinates: [ 0.238921890000000, 0.426987500000000, 0.438657080000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 70 coordinates: [ 0.238921890000000, 0.426987500000000, 0.938657080000000 ] mass: 15.999400 reduced_to: 45 - symbol: O # 71 coordinates: [ 0.738921890000000, 0.073012500000000, 0.188657080000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 72 coordinates: [ 0.738921890000000, 0.073012500000000, 0.688657080000000 ] mass: 15.999400 reduced_to: 47 - symbol: O # 73 coordinates: [ 0.737991720000000, 0.448885030000000, 0.254966165000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 74 coordinates: [ 0.737991720000000, 0.448885030000000, 0.754966165000000 ] mass: 15.999400 reduced_to: 49 - symbol: O # 75 coordinates: [ 0.237991720000000, 0.051114970000000, 0.004966165000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 76 coordinates: [ 0.237991720000000, 0.051114970000000, 0.504966165000000 ] mass: 15.999400 reduced_to: 51 - symbol: O # 77 coordinates: [ 0.418005080000000, 0.219282370000000, 0.469241620000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 78 coordinates: [ 0.418005080000000, 0.219282370000000, 0.969241620000000 ] mass: 15.999400 reduced_to: 53 - symbol: O # 79 coordinates: [ 0.918005080000000, 0.280717630000000, 0.219241620000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 80 coordinates: [ 0.918005080000000, 0.280717630000000, 0.719241620000000 ] mass: 15.999400 reduced_to: 55 - symbol: O # 81 coordinates: [ 0.279131300000000, 0.131918270000000, 0.259461890000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 82 coordinates: [ 0.279131300000000, 0.131918270000000, 0.759461890000000 ] mass: 15.999400 reduced_to: 57 - symbol: O # 83 coordinates: [ 0.779131300000000, 0.368081730000000, 0.009461890000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 84 coordinates: [ 0.779131300000000, 0.368081730000000, 0.509461890000000 ] mass: 15.999400 reduced_to: 59 - symbol: O # 85 coordinates: [ 0.114305370000000, 0.250598080000000, 0.076855305000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 86 coordinates: [ 0.114305370000000, 0.250598080000000, 0.576855305000000 ] mass: 15.999400 reduced_to: 61 - symbol: O # 87 coordinates: [ 0.208953700000000, 0.394797090000000, 0.203571030000000 ] mass: 15.999400 reduced_to: 63 - symbol: O # 88 coordinates: [ 0.208953700000000, 0.394797090000000, 0.703571030000000 ] mass: 15.999400 reduced_to: 63 - symbol: P # 89 coordinates: [ 0.012007540000000, 0.677329920000000, 0.383395445000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 90 coordinates: [ 0.012007540000000, 0.677329920000000, 0.883395445000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 91 coordinates: [ 0.512007540000000, 0.822670080000000, 0.133395445000000 ] mass: 30.973762 reduced_to: 91 - symbol: P # 92 coordinates: [ 0.512007540000000, 0.822670080000000, 0.633395445000000 ] mass: 30.973762 reduced_to: 91 - symbol: P # 93 coordinates: [ 0.512007540000000, 0.177329920000000, 0.383395445000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 94 coordinates: [ 0.512007540000000, 0.177329920000000, 0.883395445000000 ] mass: 30.973762 reduced_to: 89 - symbol: P # 95 coordinates: [ 0.012007540000000, 0.322670080000000, 0.133395445000000 ] mass: 30.973762 reduced_to: 91 - symbol: P # 96 coordinates: [ 0.012007540000000, 0.322670080000000, 0.633395445000000 ] mass: 30.973762 reduced_to: 91 - symbol: Ca # 97 coordinates: [ 0.495639180000000, 0.669047920000000, 0.375507545000000 ] mass: 40.078000 reduced_to: 97 - symbol: Ca # 98 coordinates: [ 0.495639180000000, 0.669047920000000, 0.875507545000000 ] mass: 40.078000 reduced_to: 97 - symbol: Ca # 99 coordinates: [ 0.995639180000000, 0.830952080000000, 0.125507545000000 ] mass: 40.078000 reduced_to: 99 - symbol: Ca # 100 coordinates: [ 0.995639180000000, 0.830952080000000, 0.625507545000000 ] mass: 40.078000 reduced_to: 99 - symbol: Ca # 101 coordinates: [ 0.995639180000000, 0.169047920000000, 0.375507545000000 ] mass: 40.078000 reduced_to: 97 - symbol: Ca # 102 coordinates: [ 0.995639180000000, 0.169047920000000, 0.875507545000000 ] mass: 40.078000 reduced_to: 97 - symbol: Ca # 103 coordinates: [ 0.495639180000000, 0.330952080000000, 0.125507545000000 ] mass: 40.078000 reduced_to: 99 - symbol: Ca # 104 coordinates: [ 0.495639180000000, 0.330952080000000, 0.625507545000000 ] mass: 40.078000 reduced_to: 99displacements:- atom: 1 displacement: [ 0.0099998839938813, 0.0000000000000000, -0.0000481675089282 ] forces: - [ -0.1671246900000000, -0.0518155900000000, -0.1665922400000000 ] - [ 0.0001840500000000, -0.0000347800000000, 0.0000536900000000 ] - [ -0.0002080300000000, 0.0002230500000000, -0.0002053100000000 ] - [ -0.0002076900000000, 0.0001714700000000, -0.0002267500000000 ] - [ 0.0001784000000000, -0.0006622600000000, -0.0003358400000000 ] - [ 0.0001767000000000, -0.0006798100000000, -0.0003409000000000 ] - [ 0.0024290000000000, 0.0010063100000000, -0.0019297200000000 ] - [ -0.0004129200000000, 0.0004059500000000, 0.0001433800000000 ] - [ 0.0011268600000000, -0.0076135100000000, 0.0028960900000000 ] - [ 0.0001909000000000, 0.0002655600000000, 0.0005447500000000 ] - [ -0.0001189700000000, -0.0000824800000000, 0.0002223800000000 ] - [ -0.0001139000000000, -0.0000542700000000, 0.0002205800000000 ] - [ 0.0024483300000000, -0.0020856300000000, -0.0004174500000000 ] - [ 0.0008637700000000, -0.0002850200000000, 0.0006964400000000 ] - [ 0.0007538200000000, 0.0003653700000000, 0.0005888900000000 ] - [ 0.0008201700000000, 0.0002694100000000, 0.0005748100000000 ] - [ 0.0101145700000000, 0.0021037900000000, -0.0035149800000000 ] - [ -0.0003053100000000, -0.0000800400000000, 0.0003211600000000 ] - [ -0.0000607700000000, -0.0000161900000000, -0.0002070300000000 ] - [ -0.0001236500000000, -0.0000226100000000, -0.0001545900000000 ] - [ -0.0001975900000000, -0.0001522900000000, -0.0002380300000000 ] - [ -0.0001988400000000, -0.0001514800000000, -0.0002015400000000 ] - [ -0.0006535600000000, 0.0002887000000000, -0.0005434200000000 ] - [ -0.0006579900000000, 0.0001881500000000, -0.0003880700000000 ] - [ 0.0002764800000000, -0.0010647400000000, -0.0001331100000000 ] - [ -0.0008579200000000, 0.0005864800000000, -0.0007503600000000 ] - [ 0.0001846600000000, 0.0007960800000000, -0.0003510700000000 ] - [ 0.0001792200000000, 0.0008100400000000, -0.0003356400000000 ] - [ -0.0001151600000000, 0.0002030300000000, 0.0002157600000000 ] - [ -0.0000906400000000, 0.0002401300000000, 0.0002097700000000 ] - [ -0.0003831500000000, -0.0002831200000000, 0.0004163300000000 ] - [ 0.0007431000000000, -0.0011270900000000, -0.0003427000000000 ] - [ 0.0007481600000000, -0.0001605500000000, 0.0003897400000000 ] - [ 0.0007373100000000, -0.0001764700000000, 0.0004655600000000 ] - [ 0.0007953900000000, 0.0002220500000000, 0.0004809200000000 ] - [ 0.0008874400000000, 0.0006430800000000, 0.0010924800000000 ] - [ -0.0000780400000000, 0.0000836800000000, -0.0002412800000000 ] - [ -0.0000916600000000, 0.0000667300000000, -0.0001679900000000 ] - [ -0.0004655000000000, -0.0002988500000000, 0.0002028700000000 ] - [ 0.0002314500000000, 0.0000479100000000, -0.0002608500000000 ] - [ 0.0008960100000000, 0.0003635800000000, -0.0004212400000000 ] - [ -0.0019232200000000, -0.0011206100000000, 0.0036983700000000 ] - [ 0.0004313100000000, 0.0000302600000000, 0.0005967800000000 ] - [ -0.0008441400000000, -0.0005192000000000, 0.0010032800000000 ] - [ -0.0003264700000000, 0.0002478400000000, 0.0003935500000000 ] - [ -0.0002622200000000, 0.0002437600000000, 0.0003857700000000 ] - [ -0.0108194800000000, -0.0002708200000000, -0.0114634100000000 ] - [ -0.0008627800000000, -0.0002169300000000, -0.0006182900000000 ] - [ 0.0004174100000000, -0.0007533200000000, 0.0000780300000000 ] - [ 0.0003956100000000, -0.0007046900000000, 0.0000693600000000 ] - [ 0.1643932400000000, 0.0577160500000000, 0.1719910900000000 ] - [ -0.0001581400000000, 0.0007759000000000, -0.0007238700000000 ] - [ -0.0000846700000000, 0.0006808400000000, 0.0006738400000000 ] - [ 0.0017635500000000, 0.0000165800000000, 0.0008944500000000 ] - [ -0.0007612900000000, -0.0012908500000000, 0.0005993500000000 ] - [ 0.0004753900000000, -0.0000696900000000, -0.0003191200000000 ] - [ -0.0016011400000000, 0.0017913700000000, 0.0023907900000000 ] - [ 0.0007703400000000, 0.0008704900000000, -0.0001609600000000 ] - [ -0.0005041200000000, -0.0003194100000000, -0.0002677100000000 ] - [ -0.0001343400000000, -0.0004670300000000, -0.0005283100000000 ] - [ -0.0014960200000000, 0.0011833300000000, 0.0011590100000000 ] - [ -0.0001936400000000, -0.0005109700000000, 0.0000345900000000 ] - [ -0.0004143900000000, -0.0003469200000000, 0.0001545900000000 ] - [ -0.0000775800000000, -0.0005933000000000, -0.0002100100000000 ] - [ -0.0001381800000000, 0.0003867700000000, -0.0001357100000000 ] - [ -0.0001134200000000, 0.0002572900000000, -0.0000310900000000 ] - [ -0.0005252900000000, 0.0002119300000000, 0.0006125600000000 ] - [ -0.0005451800000000, -0.0003117400000000, 0.0004012300000000 ] - [ 0.0001225000000000, 0.0005211000000000, 0.0001224700000000 ] - [ -0.0009032600000000, 0.0008895800000000, 0.0008421600000000 ] - [ -0.0003158200000000, -0.0003875000000000, 0.0004264500000000 ] - [ -0.0003193800000000, -0.0004225200000000, 0.0003617100000000 ] - [ -0.0010429300000000, -0.0011717600000000, 0.0012125100000000 ] - [ 0.0012215900000000, -0.0009398200000000, -0.0007379000000000 ] - [ 0.0003990100000000, 0.0005591500000000, 0.0001037000000000 ] - [ 0.0004067900000000, 0.0005626400000000, 0.0000619400000000 ] - [ 0.0001967000000000, 0.0003660600000000, -0.0000276100000000 ] - [ 0.0000749700000000, 0.0002537900000000, 0.0000765100000000 ] - [ 0.0007492400000000, -0.0003004700000000, 0.0006810200000000 ] - [ 0.0001846100000000, -0.0004979400000000, -0.0000300000000000 ] - [ -0.0001667300000000, 0.0002942300000000, -0.0003071600000000 ] - [ -0.0002383700000000, 0.0002357200000000, -0.0003884100000000 ] - [ 0.0009053200000000, -0.0032764100000000, 0.0008548800000000 ] - [ -0.0002943400000000, -0.0002532400000000, -0.0005741800000000 ] - [ -0.0000341400000000, 0.0000050800000000, 0.0013625900000000 ] - [ -0.0004621100000000, -0.0002707200000000, 0.0004909100000000 ] - [ 0.0014653200000000, 0.0032193500000000, 0.0005116600000000 ] - [ -0.0003584400000000, -0.0006237200000000, -0.0002746900000000 ] - [ -0.0024291900000000, -0.0019378100000000, -0.0025297900000000 ] - [ -0.0015640400000000, 0.0017552200000000, -0.0038183600000000 ] - [ 0.0017604900000000, 0.0006321000000000, -0.0014017100000000 ] - [ -0.0005714100000000, 0.0011482900000000, 0.0001251100000000 ] - [ -0.0001096100000000, -0.0009708500000000, -0.0001814400000000 ] - [ 0.0001017200000000, -0.0004745800000000, -0.0003225400000000 ] - [ -0.0030780800000000, 0.0004801200000000, -0.0036813600000000 ] - [ 0.0000151100000000, 0.0011109500000000, 0.0002355300000000 ] - [ 0.0012535100000000, 0.0033427400000000, 0.0034384100000000 ] - [ 0.0025867000000000, -0.0039048400000000, 0.0033937300000000 ] - [ -0.0005053700000000, 0.0002161200000000, -0.0005355700000000 ] - [ 0.0002136500000000, -0.0000393000000000, -0.0003189300000000 ] - [ 0.0000811600000000, 0.0001881500000000, -0.0003604700000000 ] - [ 0.0000426800000000, 0.0002822600000000, -0.0004324400000000 ] - [ 0.0011427000000000, -0.0000634500000000, -0.0006624400000000 ] - [ 0.0001085100000000, 0.0000516200000000, 0.0001700900000000 ]- atom: 1 displacement: [ -0.0099998839938813, 0.0000000000000000, 0.0000481675089282 ] forces: - [ 0.1706357900000000, 0.0545520000000000, 0.1765321100000000 ] - [ -0.0005833900000000, -0.0003056700000000, -0.0004892200000000 ] - [ -0.0002016300000000, 0.0001222100000000, -0.0002417100000000 ] - [ -0.0002019200000000, 0.0001718300000000, -0.0002215300000000 ] - [ 0.0001831800000000, -0.0007951400000000, -0.0003445300000000 ] - [ 0.0001846600000000, -0.0007769000000000, -0.0003399500000000 ] - [ -0.0020605500000000, 0.0004390000000000, 0.0012599100000000 ] - [ 0.0007668500000000, 0.0010495800000000, -0.0008126000000000 ] - [ -0.0013461500000000, 0.0077655300000000, -0.0024329600000000 ] - [ -0.0004008300000000, 0.0000441800000000, -0.0001041100000000 ] - [ -0.0000969500000000, -0.0002222600000000, 0.0002076700000000 ] - [ -0.0001018100000000, -0.0002497800000000, 0.0002090600000000 ] - [ -0.0009887500000000, 0.0017307400000000, 0.0012853300000000 ] - [ 0.0005987600000000, -0.0001136600000000, 0.0002035100000000 ] - [ 0.0007063700000000, 0.0000331100000000, 0.0003038800000000 ] - [ 0.0006373600000000, 0.0001121000000000, 0.0003032000000000 ] - [ -0.0100628100000000, -0.0019428900000000, 0.0030755100000000 ] - [ 0.0001062800000000, 0.0001832200000000, -0.0006665600000000 ] - [ -0.0001306700000000, -0.0000906200000000, -0.0001562800000000 ] - [ -0.0000670500000000, -0.0000877600000000, -0.0002097900000000 ] - [ -0.0002123300000000, -0.0001906800000000, -0.0002107700000000 ] - [ -0.0002099500000000, -0.0001913600000000, -0.0002448900000000 ] - [ 0.0002477800000000, 0.0000530300000000, 0.0001006100000000 ] - [ 0.0002419300000000, 0.0001590000000000, -0.0000560700000000 ] - [ 0.0000857300000000, -0.0004027700000000, -0.0005409300000000 ] - [ 0.0012735600000000, -0.0018889200000000, 0.0001071400000000 ] - [ 0.0001771000000000, 0.0006650700000000, -0.0003298200000000 ] - [ 0.0001823200000000, 0.0006493900000000, -0.0003446500000000 ] - [ -0.0000999500000000, 0.0001059200000000, 0.0002136700000000 ] - [ -0.0001246200000000, 0.0000681400000000, 0.0002199500000000 ] - [ 0.0001651100000000, -0.0000306000000000, 0.0000194400000000 ] - [ -0.0009400200000000, 0.0008070000000000, 0.0007608700000000 ] - [ 0.0007115100000000, -0.0002256900000000, 0.0004911700000000 ] - [ 0.0007221200000000, -0.0002119700000000, 0.0004191900000000 ] - [ 0.0006637900000000, 0.0001649200000000, 0.0004047500000000 ] - [ 0.0005726400000000, -0.0002443600000000, -0.0001942900000000 ] - [ -0.0001114000000000, 0.0000263100000000, -0.0001268200000000 ] - [ -0.0000994500000000, 0.0000426000000000, -0.0001957900000000 ] - [ 0.0002717900000000, 0.0001835700000000, -0.0005661500000000 ] - [ -0.0004154800000000, -0.0001486700000000, -0.0000944900000000 ] - [ -0.0011763000000000, 0.0005176500000000, 0.0001529500000000 ] - [ 0.0016217800000000, 0.0019796800000000, -0.0038647400000000 ] - [ -0.0013283800000000, 0.0003522800000000, 0.0006603400000000 ] - [ -0.0000444900000000, 0.0009211100000000, 0.0002544100000000 ] - [ -0.0002854500000000, 0.0004255500000000, 0.0003805000000000 ] - [ -0.0003515300000000, 0.0004309800000000, 0.0003926700000000 ] - [ 0.0100292000000000, -0.0004137000000000, 0.0119247400000000 ] - [ 0.0002413600000000, -0.0004535400000000, 0.0013600300000000 ] - [ 0.0003898700000000, -0.0005173700000000, 0.0000772700000000 ] - [ 0.0004112300000000, -0.0005620800000000, 0.0000855000000000 ] - [ -0.1676747800000000, -0.0595865200000000, -0.1820190700000000 ] - [ 0.0009551500000000, 0.0004952600000000, 0.0008541700000000 ] - [ 0.0004105400000000, 0.0000775200000000, -0.0005866200000000 ] - [ -0.0013923200000000, 0.0007996800000000, -0.0007886100000000 ] - [ 0.0010786200000000, 0.0004980800000000, -0.0004750500000000 ] - [ -0.0001421400000000, -0.0006894100000000, 0.0004099700000000 ] - [ 0.0012554900000000, -0.0010870900000000, -0.0030897900000000 ] - [ -0.0010866100000000, -0.0001306300000000, -0.0005243700000000 ] - [ 0.0001773400000000, -0.0004107400000000, -0.0003932200000000 ] - [ -0.0001981000000000, -0.0002676700000000, -0.0001577000000000 ] - [ 0.0005942900000000, -0.0015945600000000, 0.0001222500000000 ] - [ -0.0006950400000000, 0.0001041900000000, 0.0012039800000000 ] - [ 0.0001216500000000, -0.0005380500000000, -0.0003955500000000 ] - [ -0.0002096900000000, -0.0002880100000000, -0.0000394000000000 ] - [ -0.0001478900000000, 0.0004897900000000, -0.0001077000000000 ] - [ -0.0001740300000000, 0.0006175700000000, -0.0002101400000000 ] - [ -0.0003703000000000, 0.0001917300000000, 0.0006485100000000 ] - [ -0.0003513600000000, 0.0007034500000000, 0.0008541100000000 ] - [ -0.0007351800000000, 0.0001647100000000, 0.0006442800000000 ] - [ 0.0002734100000000, -0.0002172300000000, -0.0000614500000000 ] - [ -0.0002990800000000, -0.0002889400000000, 0.0003530600000000 ] - [ -0.0002936200000000, -0.0002548300000000, 0.0004126700000000 ] - [ 0.0018385000000000, -0.0000754100000000, -0.0010590500000000 ] - [ -0.0004059700000000, -0.0003321200000000, 0.0008775600000000 ] - [ 0.0004083600000000, 0.0007054800000000, 0.0000528300000000 ] - [ 0.0003996500000000, 0.0007034100000000, 0.0000917700000000 ] - [ 0.0001311100000000, 0.0004047700000000, 0.0001336100000000 ] - [ 0.0002492400000000, 0.0005135700000000, 0.0000328300000000 ] - [ -0.0004173400000000, -0.0004691900000000, -0.0005574500000000 ] - [ 0.0001424100000000, -0.0002770500000000, 0.0001335100000000 ] - [ -0.0001633500000000, 0.0004354000000000, -0.0003632200000000 ] - [ -0.0000927800000000, 0.0004938100000000, -0.0002852600000000 ] - [ -0.0012192300000000, 0.0024921700000000, -0.0015037500000000 ] - [ -0.0000391000000000, -0.0004735400000000, -0.0001090300000000 ] - [ -0.0008530900000000, -0.0004086400000000, -0.0000882900000000 ] - [ -0.0004336100000000, -0.0001344600000000, 0.0007638600000000 ] - [ -0.0017231300000000, -0.0040396600000000, -0.0007317700000000 ] - [ 0.0000653800000000, -0.0002640900000000, 0.0000193300000000 ] - [ 0.0022631800000000, 0.0000607900000000, 0.0021278500000000 ] - [ 0.0012959100000000, -0.0036296700000000, 0.0033768800000000 ] - [ -0.0019308100000000, 0.0012862600000000, 0.0009413300000000 ] - [ 0.0003809900000000, 0.0007542300000000, -0.0005427000000000 ] - [ -0.0000737900000000, -0.0009311700000000, -0.0002562400000000 ] - [ -0.0002796000000000, -0.0014161800000000, -0.0001170100000000 ] - [ 0.0028562200000000, 0.0014290800000000, 0.0031703200000000 ] - [ -0.0001902400000000, 0.0007965100000000, -0.0006536200000000 ] - [ -0.0010777200000000, -0.0030242200000000, -0.0041310200000000 ] - [ -0.0023583700000000, 0.0040649800000000, -0.0041274600000000 ] - [ 0.0006737400000000, -0.0004738000000000, -0.0002500700000000 ] - [ -0.0000428200000000, -0.0002109700000000, -0.0004341100000000 ] - [ 0.0000891000000000, 0.0000667200000000, -0.0004042700000000 ] - [ 0.0001264800000000, -0.0000236200000000, -0.0003337000000000 ] - [ -0.0009636800000000, -0.0001988700000000, -0.0001254100000000 ] - [ 0.0000618600000000, -0.0003021000000000, -0.0009193300000000 ]- atom: 1 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0539775000000000, -0.0782483300000000, -0.0658854100000000 ] - [ -0.0000679100000000, -0.0002424800000000, -0.0000951300000000 ] - [ -0.0002043000000000, 0.0002447400000000, -0.0001785400000000 ] - [ -0.0002556700000000, 0.0002450600000000, -0.0003142300000000 ] - [ 0.0001781100000000, -0.0004931300000000, -0.0003182200000000 ] - [ 0.0001802300000000, -0.0003540200000000, -0.0003445800000000 ] - [ 0.0008059600000000, -0.0004646200000000, -0.0009099900000000 ] - [ -0.0000354100000000, 0.0002402300000000, -0.0000847800000000 ] - [ -0.0051569800000000, -0.0006994400000000, -0.0028594700000000 ] - [ -0.0000246700000000, 0.0000738200000000, 0.0004193600000000 ] - [ -0.0001460600000000, 0.0001801500000000, 0.0002413100000000 ] - [ -0.0001584800000000, 0.0002602000000000, 0.0002546000000000 ] - [ -0.0004757900000000, 0.0001347500000000, 0.0009033300000000 ] - [ 0.0007407300000000, -0.0002412200000000, 0.0004731900000000 ] - [ 0.0007673700000000, 0.0006080900000000, 0.0008431700000000 ] - [ 0.0008567700000000, 0.0002491300000000, 0.0002892200000000 ] - [ 0.0018774100000000, -0.0012526800000000, -0.0003096900000000 ] - [ -0.0003180100000000, -0.0001525600000000, 0.0002247700000000 ] - [ -0.0001652800000000, 0.0000548200000000, 0.0000184300000000 ] - [ -0.0001214700000000, 0.0000452700000000, -0.0002595800000000 ] - [ -0.0001850000000000, -0.0000687600000000, -0.0002103500000000 ] - [ -0.0001852900000000, -0.0000986800000000, -0.0002107200000000 ] - [ -0.0002219000000000, 0.0002355400000000, -0.0006071700000000 ] - [ -0.0003208400000000, 0.0002366200000000, 0.0000794100000000 ] - [ 0.0001865600000000, -0.0009962800000000, -0.0003793200000000 ] - [ 0.0262514800000000, 0.0088323400000000, 0.0293640200000000 ] - [ 0.0001799900000000, 0.0010750900000000, -0.0003585900000000 ] - [ 0.0001837300000000, 0.0009997400000000, -0.0003449300000000 ] - [ -0.0000553200000000, 0.0005859900000000, 0.0001892500000000 ] - [ -0.0000708100000000, 0.0004283600000000, 0.0001839000000000 ] - [ -0.0000952600000000, -0.0007785200000000, 0.0001433100000000 ] - [ -0.0000009000000000, -0.0007775800000000, 0.0002782400000000 ] - [ 0.0006992400000000, 0.0001613800000000, 0.0001559500000000 ] - [ 0.0007298000000000, -0.0000647800000000, 0.0003653600000000 ] - [ 0.0007195900000000, 0.0002666200000000, 0.0003720300000000 ] - [ 0.0007494600000000, 0.0006053800000000, 0.0012786600000000 ] - [ -0.0000420000000000, 0.0001694700000000, -0.0002836900000000 ] - [ -0.0000580700000000, 0.0001286500000000, -0.0002580500000000 ] - [ -0.0000105000000000, -0.0001593900000000, -0.0007857800000000 ] - [ -0.0001036200000000, 0.0000617100000000, 0.0000261700000000 ] - [ -0.0002574200000000, 0.0012758400000000, -0.0008032600000000 ] - [ -0.0017707800000000, 0.0021090100000000, 0.0002852300000000 ] - [ -0.0002364700000000, 0.0000400900000000, -0.0003363800000000 ] - [ -0.0017048600000000, 0.0005015200000000, 0.0013144700000000 ] - [ -0.0002518400000000, 0.0000365600000000, 0.0002445500000000 ] - [ -0.0002027700000000, -0.0001294900000000, 0.0005106500000000 ] - [ -0.0007035700000000, 0.0078391800000000, -0.0003594500000000 ] - [ -0.0004147600000000, 0.0000491900000000, -0.0002806700000000 ] - [ 0.0003671400000000, -0.0010774900000000, -0.0000319100000000 ] - [ 0.0004174900000000, -0.0009008300000000, 0.0001336500000000 ] - [ 0.0339158600000000, 0.0641578400000000, 0.0406832200000000 ] - [ 0.0002938000000000, 0.0010379100000000, -0.0001204700000000 ] - [ 0.0002605600000000, 0.0004124600000000, -0.0004076600000000 ] - [ -0.0018503100000000, -0.0003607000000000, 0.0032904700000000 ] - [ -0.0000025900000000, -0.0007130400000000, -0.0001804000000000 ] - [ 0.0004082700000000, -0.0001094000000000, -0.0001320400000000 ] - [ 0.0004176100000000, 0.0008805800000000, -0.0011969000000000 ] - [ 0.0000623400000000, 0.0014095500000000, 0.0003094700000000 ] - [ -0.0001265300000000, -0.0008600500000000, -0.0001562900000000 ] - [ -0.0001911000000000, -0.0006651500000000, -0.0006961800000000 ] - [ 0.0002734100000000, -0.0007661800000000, 0.0006697100000000 ] - [ -0.0004041700000000, -0.0002027700000000, 0.0004950500000000 ] - [ -0.0002246200000000, -0.0010943400000000, -0.0003663300000000 ] - [ -0.0001473300000000, -0.0006665100000000, -0.0000828200000000 ] - [ -0.0000586600000000, -0.0000095200000000, 0.0000067000000000 ] - [ -0.0000536700000000, -0.0001049000000000, -0.0000089700000000 ] - [ -0.0005088500000000, -0.0002025500000000, 0.0008590400000000 ] - [ -0.0005624000000000, -0.0004505000000000, 0.0003777400000000 ] - [ -0.0003148000000000, 0.0007168200000000, 0.0008300600000000 ] - [ -0.0001483300000000, 0.0005472400000000, 0.0001002300000000 ] - [ -0.0003831700000000, -0.0007490500000000, 0.0004188000000000 ] - [ -0.0003626500000000, -0.0006180300000000, 0.0004026900000000 ] - [ -0.0004223500000000, -0.0003756300000000, 0.0008152500000000 ] - [ 0.0004964900000000, -0.0004746200000000, -0.0002943400000000 ] - [ 0.0004014200000000, 0.0002220700000000, 0.0001025300000000 ] - [ 0.0004068900000000, 0.0003329800000000, 0.0000873500000000 ] - [ 0.0002108600000000, 0.0001434300000000, 0.0000703100000000 ] - [ 0.0002073400000000, -0.0000102000000000, -0.0001158800000000 ] - [ -0.0000707600000000, -0.0009482600000000, 0.0003443000000000 ] - [ 0.0001761100000000, -0.0005210900000000, 0.0000316900000000 ] - [ -0.0001688700000000, -0.0000761200000000, -0.0001863200000000 ] - [ -0.0002382900000000, 0.0000197300000000, -0.0003961000000000 ] - [ -0.0009256100000000, -0.0007759400000000, -0.0016619300000000 ] - [ -0.0001773000000000, -0.0003301900000000, -0.0003076400000000 ] - [ -0.0003110100000000, -0.0009370800000000, 0.0004637800000000 ] - [ -0.0004283600000000, -0.0003902500000000, 0.0006233400000000 ] - [ 0.0004906200000000, -0.0012117200000000, 0.0005669600000000 ] - [ -0.0001563900000000, -0.0004827900000000, -0.0002940600000000 ] - [ -0.0001783500000000, -0.0014594900000000, 0.0018483200000000 ] - [ 0.0039450400000000, -0.0038379400000000, -0.0039536500000000 ] - [ -0.0001455000000000, 0.0020496900000000, 0.0000755800000000 ] - [ -0.0001938500000000, 0.0010331200000000, -0.0001139900000000 ] - [ -0.0001138800000000, -0.0002584500000000, -0.0004069100000000 ] - [ -0.0000549500000000, -0.0000859200000000, -0.0002182900000000 ] - [ 0.0001120300000000, 0.0039694700000000, -0.0003074800000000 ] - [ -0.0000909900000000, 0.0011658500000000, -0.0001185600000000 ] - [ 0.0004154400000000, -0.0001211900000000, 0.0006061500000000 ] - [ -0.0019254400000000, -0.0027114200000000, -0.0024430200000000 ] - [ 0.0001002600000000, 0.0018365500000000, 0.0001096900000000 ] - [ 0.0001263800000000, 0.0000858300000000, -0.0003919200000000 ] - [ 0.0001016200000000, 0.0006762700000000, -0.0005224500000000 ] - [ 0.0000363300000000, 0.0006667600000000, -0.0002711900000000 ] - [ 0.0001070000000000, 0.0004175300000000, -0.0003238000000000 ] - [ 0.0000838600000000, 0.0000250500000000, -0.0002951500000000 ]- atom: 1 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0529560900000000, 0.0762682400000000, 0.0647373100000000 ] - [ -0.0003299600000000, -0.0001028100000000, -0.0003399600000000 ] - [ -0.0001954100000000, 0.0000994200000000, -0.0002579500000000 ] - [ -0.0001438000000000, 0.0000995800000000, -0.0001227700000000 ] - [ 0.0001818600000000, -0.0009710100000000, -0.0003637800000000 ] - [ 0.0001799200000000, -0.0011099600000000, -0.0003381800000000 ] - [ -0.0004422700000000, 0.0019373300000000, 0.0002176800000000 ] - [ 0.0003906800000000, 0.0012213700000000, -0.0005914300000000 ] - [ 0.0049162000000000, 0.0010309000000000, 0.0032813800000000 ] - [ -0.0001855100000000, 0.0002209200000000, 0.0000187700000000 ] - [ -0.0000668400000000, -0.0004716200000000, 0.0001900700000000 ] - [ -0.0000546700000000, -0.0005509200000000, 0.0001766900000000 ] - [ 0.0019267600000000, -0.0005499600000000, 0.0000003600000000 ] - [ 0.0007196200000000, -0.0001582200000000, 0.0004177700000000 ] - [ 0.0006927200000000, -0.0002125600000000, 0.0000464200000000 ] - [ 0.0006049600000000, 0.0001477000000000, 0.0005982800000000 ] - [ -0.0021072000000000, 0.0013332000000000, -0.0000626900000000 ] - [ 0.0001318400000000, 0.0002573900000000, -0.0005974100000000 ] - [ -0.0000197200000000, -0.0001609100000000, -0.0003907700000000 ] - [ -0.0000630800000000, -0.0001503300000000, -0.0001160300000000 ] - [ -0.0002136100000000, -0.0002746300000000, -0.0002256200000000 ] - [ -0.0002139100000000, -0.0002449200000000, -0.0002254700000000 ] - [ -0.0001796200000000, 0.0001098600000000, 0.0001716500000000 ] - [ -0.0000765300000000, 0.0001102900000000, -0.0005150200000000 ] - [ 0.0001731900000000, -0.0004665600000000, -0.0003033100000000 ] - [ -0.0261971200000000, -0.0107035800000000, -0.0305036500000000 ] - [ 0.0001800600000000, 0.0003905000000000, -0.0003239100000000 ] - [ 0.0001764700000000, 0.0004676700000000, -0.0003376300000000 ] - [ -0.0001574300000000, -0.0002909100000000, 0.0002417200000000 ] - [ -0.0001419000000000, -0.0001360300000000, 0.0002471600000000 ] - [ -0.0001174100000000, 0.0004872700000000, 0.0002865700000000 ] - [ -0.0002032700000000, 0.0004842400000000, 0.0001561100000000 ] - [ 0.0007606900000000, -0.0005594400000000, 0.0007353300000000 ] - [ 0.0007298100000000, -0.0003293300000000, 0.0005223700000000 ] - [ 0.0007408900000000, 0.0001334300000000, 0.0005215400000000 ] - [ 0.0007087500000000, -0.0002097100000000, -0.0004069500000000 ] - [ -0.0001425000000000, -0.0000628200000000, -0.0000910100000000 ] - [ -0.0001253700000000, -0.0000215800000000, -0.0001171500000000 ] - [ -0.0001772000000000, 0.0000572200000000, 0.0004200100000000 ] - [ -0.0000795100000000, -0.0001626300000000, -0.0003942700000000 ] - [ -0.0000389600000000, -0.0003728800000000, 0.0005396800000000 ] - [ 0.0014686100000000, -0.0011758700000000, -0.0005666900000000 ] - [ -0.0006514400000000, 0.0003643800000000, 0.0015849100000000 ] - [ 0.0007962000000000, -0.0000950200000000, -0.0000492400000000 ] - [ -0.0003621600000000, 0.0006303500000000, 0.0005364300000000 ] - [ -0.0004102500000000, 0.0007931800000000, 0.0002738300000000 ] - [ 0.0002102200000000, -0.0084170400000000, 0.0012238900000000 ] - [ -0.0002009300000000, -0.0007109200000000, 0.0010559500000000 ] - [ 0.0004205400000000, -0.0002084400000000, 0.0001699600000000 ] - [ 0.0003697600000000, -0.0003851300000000, 0.0000047000000000 ] - [ -0.0322414500000000, -0.0608903500000000, -0.0394809900000000 ] - [ 0.0004931700000000, 0.0002473900000000, 0.0002591800000000 ] - [ 0.0000324700000000, 0.0003840500000000, 0.0005424600000000 ] - [ 0.0021013800000000, 0.0011609200000000, -0.0030999900000000 ] - [ 0.0002949400000000, -0.0000711700000000, 0.0003042400000000 ] - [ -0.0001170700000000, -0.0006791000000000, 0.0002678300000000 ] - [ -0.0007201000000000, -0.0000909300000000, 0.0005275100000000 ] - [ -0.0003648800000000, -0.0006210200000000, -0.0009808300000000 ] - [ -0.0001758800000000, 0.0000883700000000, -0.0005218200000000 ] - [ -0.0001119500000000, -0.0001028400000000, 0.0000186600000000 ] - [ -0.0011566900000000, 0.0003739000000000, 0.0005806500000000 ] - [ -0.0004908600000000, -0.0001858600000000, 0.0007641600000000 ] - [ -0.0000695500000000, 0.0001961200000000, 0.0000992800000000 ] - [ -0.0001483800000000, -0.0002292500000000, -0.0001801200000000 ] - [ -0.0002355500000000, 0.0009037900000000, -0.0002721300000000 ] - [ -0.0002407100000000, 0.0009997200000000, -0.0002548600000000 ] - [ -0.0003863700000000, 0.0005933300000000, 0.0003962700000000 ] - [ -0.0003307400000000, 0.0008474900000000, 0.0008881200000000 ] - [ -0.0002962100000000, -0.0000532500000000, -0.0000526600000000 ] - [ -0.0004754700000000, 0.0001110800000000, 0.0006810900000000 ] - [ -0.0002307400000000, 0.0000810800000000, 0.0003643300000000 ] - [ -0.0002528200000000, -0.0000476100000000, 0.0003804200000000 ] - [ 0.0012159100000000, -0.0009181900000000, -0.0006765300000000 ] - [ 0.0002949500000000, -0.0008151200000000, 0.0004257500000000 ] - [ 0.0003851600000000, 0.0010622200000000, 0.0000361900000000 ] - [ 0.0003810600000000, 0.0009503900000000, 0.0000503800000000 ] - [ 0.0000815200000000, 0.0006426600000000, 0.0000571800000000 ] - [ 0.0000861700000000, 0.0007979300000000, 0.0002482600000000 ] - [ 0.0003668000000000, 0.0001630700000000, -0.0002195100000000 ] - [ 0.0001127700000000, -0.0002733000000000, 0.0001009100000000 ] - [ -0.0001334300000000, 0.0008449100000000, -0.0004941600000000 ] - [ -0.0000610700000000, 0.0007484000000000, -0.0002794600000000 ] - [ 0.0006251000000000, 0.0000498100000000, 0.0009958700000000 ] - [ -0.0001253900000000, -0.0004444000000000, -0.0003747600000000 ] - [ -0.0005875000000000, 0.0005489200000000, 0.0007947600000000 ] - [ -0.0004637800000000, -0.0000095300000000, 0.0006316400000000 ] - [ -0.0007979300000000, 0.0003197100000000, -0.0008437300000000 ] - [ -0.0001402500000000, -0.0004211900000000, 0.0000239600000000 ] - [ 0.0000047400000000, -0.0005015100000000, -0.0022862700000000 ] - [ -0.0040432500000000, 0.0018102700000000, 0.0034886200000000 ] - [ -0.0000228200000000, -0.0001148700000000, -0.0005010400000000 ] - [ 0.0000319400000000, 0.0008954800000000, -0.0003237100000000 ] - [ -0.0000506300000000, -0.0016705300000000, -0.0000222200000000 ] - [ -0.0001133200000000, -0.0018470500000000, -0.0002168500000000 ] - [ -0.0002716400000000, -0.0020698100000000, -0.0001101200000000 ] - [ -0.0000712600000000, 0.0007782700000000, -0.0003089600000000 ] - [ -0.0002478800000000, 0.0003430600000000, -0.0013758400000000 ] - [ 0.0020833000000000, 0.0028892900000000, 0.0016795600000000 ] - [ 0.0000670000000000, -0.0020587700000000, -0.0008593400000000 ] - [ 0.0000401600000000, -0.0003316900000000, -0.0003729500000000 ] - [ 0.0000644700000000, -0.0004314200000000, -0.0002356800000000 ] - [ 0.0001315500000000, -0.0004207300000000, -0.0004935800000000 ] - [ 0.0000597900000000, -0.0006511800000000, -0.0004413300000000 ] - [ 0.0000829800000000, -0.0002596800000000, -0.0004634600000000 ]- atom: 1 displacement: [ -0.0049439770564842, 0.0000000000000000, 0.0086923581877968 ] forces: - [ -0.0655840900000000, -0.0305062200000000, -0.1019876500000000 ] - [ -0.0001466500000000, -0.0001285900000000, 0.0001556000000000 ] - [ -0.0001973000000000, 0.0002257400000000, -0.0002118400000000 ] - [ -0.0001781700000000, 0.0001333900000000, -0.0002005400000000 ] - [ 0.0001765800000000, -0.0006770600000000, -0.0003326400000000 ] - [ 0.0001787500000000, -0.0007683600000000, -0.0003547900000000 ] - [ -0.0010505500000000, -0.0000592500000000, 0.0003248500000000 ] - [ 0.0002972300000000, 0.0009518400000000, 0.0001326900000000 ] - [ 0.0013031800000000, -0.0015655600000000, -0.0003683300000000 ] - [ -0.0001610300000000, 0.0000572600000000, 0.0003465100000000 ] - [ -0.0001084100000000, -0.0001092800000000, 0.0002284000000000 ] - [ -0.0001067300000000, -0.0001880900000000, 0.0001959200000000 ] - [ -0.0004831300000000, 0.0020932700000000, -0.0008449500000000 ] - [ 0.0008345300000000, -0.0008833900000000, 0.0014000200000000 ] - [ 0.0007824900000000, 0.0008610800000000, 0.0010746500000000 ] - [ 0.0005467000000000, -0.0003361700000000, -0.0000096200000000 ] - [ -0.0040160500000000, 0.0002778100000000, -0.0051930400000000 ] - [ -0.0003069000000000, -0.0001713800000000, 0.0005987900000000 ] - [ -0.0001094000000000, 0.0000182900000000, -0.0001787400000000 ] - [ -0.0000788200000000, -0.0001629700000000, -0.0001251200000000 ] - [ -0.0002115300000000, -0.0001705200000000, -0.0002556500000000 ] - [ -0.0001793700000000, -0.0001701400000000, -0.0001737100000000 ] - [ -0.0001135000000000, -0.0001503800000000, 0.0003729500000000 ] - [ -0.0002475100000000, 0.0004949600000000, 0.0002946600000000 ] - [ 0.0001533000000000, -0.0009095500000000, -0.0001472000000000 ] - [ 0.0031519100000000, 0.0006735200000000, 0.0019679400000000 ] - [ 0.0001829300000000, 0.0007479800000000, -0.0003497900000000 ] - [ 0.0001796800000000, 0.0007248100000000, -0.0003323000000000 ] - [ -0.0000952700000000, 0.0002169000000000, 0.0002010100000000 ] - [ -0.0001075400000000, 0.0000938100000000, 0.0002300900000000 ] - [ -0.0000062500000000, -0.0004427700000000, 0.0005833400000000 ] - [ -0.0001557800000000, 0.0004837500000000, 0.0003477200000000 ] - [ 0.0007410400000000, -0.0001587300000000, 0.0003661600000000 ] - [ 0.0007316300000000, -0.0002345800000000, 0.0005124500000000 ] - [ 0.0006982100000000, 0.0000960600000000, 0.0005314300000000 ] - [ 0.0007447300000000, 0.0003708100000000, 0.0006923400000000 ] - [ -0.0000703000000000, 0.0000593800000000, -0.0002625400000000 ] - [ -0.0001040200000000, 0.0000427600000000, -0.0001286800000000 ] - [ 0.0001031900000000, -0.0003628700000000, -0.0001955500000000 ] - [ -0.0001542600000000, 0.0001917500000000, 0.0005061800000000 ] - [ -0.0002687800000000, 0.0003843700000000, -0.0015091800000000 ] - [ 0.0009300500000000, 0.0013644600000000, 0.0002446700000000 ] - [ -0.0008732300000000, -0.0010999700000000, 0.0001571400000000 ] - [ 0.0002667000000000, 0.0012278800000000, -0.0001331800000000 ] - [ -0.0002884800000000, 0.0002575300000000, 0.0003319600000000 ] - [ -0.0003491500000000, 0.0004606500000000, 0.0004432800000000 ] - [ -0.0064658800000000, -0.0006964100000000, 0.0057389400000000 ] - [ -0.0001254200000000, -0.0002962500000000, -0.0003837800000000 ] - [ 0.0004085000000000, -0.0007005900000000, 0.0001273100000000 ] - [ 0.0003642800000000, -0.0006162900000000, -0.0000046200000000 ] - [ 0.0705197900000000, 0.0313529500000000, 0.0948166500000000 ] - [ 0.0004000100000000, 0.0007645200000000, -0.0005822000000000 ] - [ 0.0004480000000000, -0.0004636200000000, -0.0012575900000000 ] - [ 0.0008765000000000, 0.0035033200000000, -0.0002572300000000 ] - [ 0.0001637400000000, -0.0009321200000000, 0.0006801900000000 ] - [ 0.0002093200000000, -0.0000346900000000, -0.0006095000000000 ] - [ 0.0008988700000000, -0.0016315200000000, -0.0021565800000000 ] - [ -0.0002850800000000, 0.0007306600000000, -0.0018370000000000 ] - [ 0.0002646800000000, -0.0003283100000000, 0.0003550600000000 ] - [ -0.0003006800000000, -0.0006353600000000, -0.0011059200000000 ] - [ -0.0002389300000000, -0.0010277600000000, 0.0017177200000000 ] - [ -0.0004200600000000, 0.0000021800000000, -0.0002175800000000 ] - [ -0.0001645400000000, -0.0006533600000000, -0.0000067200000000 ] - [ -0.0001782900000000, -0.0004011600000000, -0.0003903100000000 ] - [ -0.0001463200000000, 0.0004925000000000, -0.0002027500000000 ] - [ -0.0001507000000000, 0.0004377800000000, -0.0000810700000000 ] - [ -0.0004085600000000, 0.0003381900000000, 0.0006009500000000 ] - [ -0.0004780000000000, -0.0000020600000000, 0.0005187800000000 ] - [ -0.0006027100000000, 0.0007737100000000, -0.0000325900000000 ] - [ -0.0005153000000000, -0.0006246400000000, 0.0000589100000000 ] - [ -0.0003109200000000, -0.0003665500000000, 0.0004648600000000 ] - [ -0.0003088600000000, -0.0003003600000000, 0.0003353200000000 ] - [ 0.0011437400000000, 0.0005113200000000, -0.0002059100000000 ] - [ 0.0000974200000000, -0.0009498000000000, -0.0005743900000000 ] - [ 0.0003892100000000, 0.0006664700000000, 0.0001048900000000 ] - [ 0.0003756000000000, 0.0006284400000000, 0.0000150900000000 ] - [ 0.0001459800000000, 0.0004477700000000, 0.0000051700000000 ] - [ 0.0000895800000000, 0.0003284300000000, 0.0001512400000000 ] - [ 0.0001367500000000, -0.0002114700000000, 0.0005064900000000 ] - [ 0.0001711800000000, -0.0004739900000000, -0.0001715000000000 ] - [ -0.0001195300000000, 0.0004014300000000, -0.0002733300000000 ] - [ -0.0001681600000000, 0.0003918100000000, -0.0004020900000000 ] - [ 0.0001872100000000, -0.0017656000000000, 0.0004669500000000 ] - [ -0.0002316400000000, -0.0002006300000000, -0.0007721700000000 ] - [ -0.0003036800000000, -0.0001435300000000, 0.0010979400000000 ] - [ -0.0004426300000000, -0.0002191100000000, 0.0004223500000000 ] - [ -0.0000815700000000, 0.0007002500000000, 0.0007214700000000 ] - [ -0.0001301500000000, -0.0006407800000000, -0.0006887000000000 ] - [ 0.0008071500000000, 0.0015519700000000, 0.0037260900000000 ] - [ -0.0032226900000000, -0.0041029200000000, 0.0041003300000000 ] - [ -0.0004634300000000, 0.0016920600000000, -0.0010185300000000 ] - [ -0.0000351800000000, 0.0007531100000000, 0.0007321200000000 ] - [ -0.0001420000000000, -0.0011494000000000, -0.0001662500000000 ] - [ 0.0000018900000000, -0.0007716700000000, -0.0002282200000000 ] - [ -0.0007372500000000, 0.0006893100000000, -0.0023973800000000 ] - [ 0.0000834100000000, 0.0010876700000000, 0.0005611800000000 ] - [ 0.0001874600000000, 0.0011535500000000, 0.0009746200000000 ] - [ 0.0018086900000000, -0.0019060000000000, 0.0014489900000000 ] - [ 0.0003970100000000, -0.0002072500000000, -0.0017246200000000 ] - [ -0.0000190400000000, -0.0000367600000000, 0.0004026800000000 ] - [ 0.0000877200000000, 0.0000265400000000, -0.0003218200000000 ] - [ 0.0000735400000000, 0.0002135600000000, -0.0004067800000000 ] - [ 0.0000430400000000, -0.0003360500000000, -0.0015555200000000 ] - [ 0.0001662500000000, -0.0000676500000000, 0.0002346400000000 ]- atom: 1 displacement: [ 0.0049439770564842, 0.0000000000000000, -0.0086923581877968 ] forces: - [ 0.0664969800000000, 0.0301657100000000, 0.0994072200000000 ] - [ -0.0002414600000000, -0.0002163500000000, -0.0005808000000000 ] - [ -0.0001936200000000, 0.0001189800000000, -0.0002158400000000 ] - [ -0.0002122000000000, 0.0002110800000000, -0.0002260600000000 ] - [ 0.0001821200000000, -0.0007931900000000, -0.0003519400000000 ] - [ 0.0001799200000000, -0.0007013200000000, -0.0003297600000000 ] - [ 0.0013929300000000, 0.0015171600000000, -0.0010007900000000 ] - [ 0.0000618100000000, 0.0005146600000000, -0.0008266000000000 ] - [ -0.0015406700000000, 0.0018666000000000, 0.0007692000000000 ] - [ -0.0000464000000000, 0.0002229100000000, 0.0000921800000000 ] - [ -0.0001013800000000, -0.0001689900000000, 0.0002048800000000 ] - [ -0.0001029800000000, -0.0000908400000000, 0.0002374000000000 ] - [ 0.0019428200000000, -0.0024774200000000, 0.0017203900000000 ] - [ 0.0006241900000000, 0.0004868600000000, -0.0005135700000000 ] - [ 0.0006787300000000, -0.0004554400000000, -0.0001779600000000 ] - [ 0.0009149700000000, 0.0007424600000000, 0.0009072900000000 ] - [ 0.0037714900000000, -0.0001659100000000, 0.0048229800000000 ] - [ 0.0001255100000000, 0.0002726300000000, -0.0009768500000000 ] - [ -0.0000678600000000, -0.0001210500000000, -0.0002040300000000 ] - [ -0.0000992700000000, 0.0000606900000000, -0.0002555200000000 ] - [ -0.0001784800000000, -0.0001732500000000, -0.0001708500000000 ] - [ -0.0002098500000000, -0.0001736200000000, -0.0002516400000000 ] - [ -0.0002739800000000, 0.0004917500000000, -0.0007971200000000 ] - [ -0.0001366900000000, -0.0001573000000000, -0.0007207000000000 ] - [ 0.0002050700000000, -0.0005607400000000, -0.0005379200000000 ] - [ -0.0028476000000000, -0.0021778900000000, -0.0025847900000000 ] - [ 0.0001756900000000, 0.0007222000000000, -0.0003349000000000 ] - [ 0.0001788900000000, 0.0007458500000000, -0.0003521200000000 ] - [ -0.0001144400000000, 0.0000645300000000, 0.0002317700000000 ] - [ -0.0001019500000000, 0.0001865000000000, 0.0002031100000000 ] - [ -0.0002018500000000, 0.0001588000000000, -0.0001488300000000 ] - [ -0.0000408300000000, -0.0007736200000000, 0.0000827100000000 ] - [ 0.0007202300000000, -0.0002421400000000, 0.0005261500000000 ] - [ 0.0007298300000000, -0.0001697100000000, 0.0003834300000000 ] - [ 0.0007623600000000, 0.0003072800000000, 0.0003631600000000 ] - [ 0.0007155900000000, 0.0000385900000000, 0.0002122700000000 ] - [ -0.0001076400000000, 0.0000439600000000, -0.0001184500000000 ] - [ -0.0000731500000000, 0.0000603600000000, -0.0002533800000000 ] - [ -0.0002772500000000, 0.0002582500000000, -0.0001921500000000 ] - [ -0.0000173700000000, -0.0002909400000000, -0.0008869000000000 ] - [ -0.0000372600000000, 0.0005323000000000, 0.0012146200000000 ] - [ -0.0012575300000000, -0.0004590300000000, -0.0005313300000000 ] - [ -0.0000206100000000, 0.0014861000000000, 0.0010972800000000 ] - [ -0.0011535500000000, -0.0008453500000000, 0.0013865000000000 ] - [ -0.0003284000000000, 0.0003918200000000, 0.0004652100000000 ] - [ -0.0002676200000000, 0.0001883100000000, 0.0003523700000000 ] - [ 0.0058917400000000, 0.0000404100000000, -0.0047889800000000 ] - [ -0.0004919900000000, -0.0003510300000000, 0.0011691000000000 ] - [ 0.0003560200000000, -0.0006122000000000, -0.0000080300000000 ] - [ 0.0003992100000000, -0.0006976100000000, 0.0001213800000000 ] - [ -0.0709697100000000, -0.0300136300000000, -0.0927204300000000 ] - [ 0.0003637200000000, 0.0005490700000000, 0.0007001300000000 ] - [ -0.0001902800000000, 0.0012661900000000, 0.0014017300000000 ] - [ -0.0006028700000000, -0.0027150700000000, 0.0003873300000000 ] - [ 0.0000951400000000, 0.0001247800000000, -0.0005249800000000 ] - [ 0.0000493700000000, -0.0007721500000000, 0.0007595800000000 ] - [ -0.0011588500000000, 0.0024177700000000, 0.0014596100000000 ] - [ 0.0000107400000000, 0.0000648000000000, 0.0011665000000000 ] - [ -0.0005409500000000, -0.0004805000000000, -0.0010406900000000 ] - [ 0.0000257000000000, -0.0001733300000000, 0.0004202700000000 ] - [ -0.0006547000000000, 0.0006353000000000, -0.0004556900000000 ] - [ -0.0004654100000000, -0.0003987300000000, 0.0014740300000000 ] - [ -0.0001381000000000, -0.0002626100000000, -0.0002770500000000 ] - [ -0.0001244200000000, -0.0005173200000000, 0.0001032700000000 ] - [ -0.0001555500000000, 0.0004229800000000, -0.0000819700000000 ] - [ -0.0001524000000000, 0.0004788400000000, -0.0002049800000000 ] - [ -0.0004781900000000, 0.0000516800000000, 0.0006544300000000 ] - [ -0.0004100200000000, 0.0003873800000000, 0.0007300800000000 ] - [ -0.0000177500000000, -0.0001203000000000, 0.0008307300000000 ] - [ -0.0001134400000000, 0.0012794600000000, 0.0007368300000000 ] - [ -0.0003057600000000, -0.0002840600000000, 0.0003317400000000 ] - [ -0.0003082600000000, -0.0003509200000000, 0.0004599000000000 ] - [ -0.0003759500000000, -0.0018134800000000, 0.0003229800000000 ] - [ 0.0006663100000000, -0.0003530900000000, 0.0006990500000000 ] - [ 0.0003742600000000, 0.0006462100000000, 0.0000126800000000 ] - [ 0.0003876000000000, 0.0006837000000000, 0.0001017600000000 ] - [ 0.0001093200000000, 0.0003601300000000, 0.0001507500000000 ] - [ 0.0001674800000000, 0.0004767600000000, 0.0000009300000000 ] - [ 0.0001167900000000, -0.0006000900000000, -0.0003478100000000 ] - [ 0.0000852500000000, -0.0003324600000000, 0.0003232100000000 ] - [ -0.0001545400000000, 0.0004043100000000, -0.0004077700000000 ] - [ -0.0001068000000000, 0.0004147900000000, -0.0002826700000000 ] - [ -0.0004563900000000, 0.0009346700000000, -0.0011495800000000 ] - [ -0.0000427100000000, -0.0006076700000000, 0.0000884900000000 ] - [ -0.0005793000000000, -0.0002552100000000, 0.0001550900000000 ] - [ -0.0004447700000000, -0.0001719100000000, 0.0008298000000000 ] - [ -0.0002193100000000, -0.0016349500000000, -0.0009984900000000 ] - [ -0.0001750500000000, -0.0002794000000000, 0.0003994100000000 ] - [ -0.0009342000000000, -0.0034951700000000, -0.0041208700000000 ] - [ 0.0030982400000000, 0.0022013100000000, -0.0045485900000000 ] - [ 0.0003179300000000, 0.0002765400000000, 0.0005866200000000 ] - [ -0.0001139400000000, 0.0012189000000000, -0.0011588000000000 ] - [ -0.0000037200000000, -0.0008177400000000, -0.0002673100000000 ] - [ -0.0001458100000000, -0.0011928300000000, -0.0002005300000000 ] - [ 0.0005905900000000, 0.0013035500000000, 0.0019573600000000 ] - [ -0.0002259500000000, 0.0008830000000000, -0.0009884400000000 ] - [ -0.0000289800000000, -0.0009324300000000, -0.0017431100000000 ] - [ -0.0016579300000000, 0.0021237900000000, -0.0021837700000000 ] - [ -0.0002341500000000, -0.0000271100000000, 0.0009669200000000 ] - [ 0.0001839500000000, -0.0001893200000000, -0.0011586200000000 ] - [ 0.0000764600000000, 0.0002054200000000, -0.0004377600000000 ] - [ 0.0000897800000000, 0.0000177100000000, -0.0003475700000000 ] - [ 0.0001201100000000, 0.0001048700000000, 0.0007948700000000 ] - [ -0.0000048800000000, -0.0001642400000000, -0.0009913700000000 ]- atom: 5 displacement: [ 0.0099998839938813, 0.0000000000000000, -0.0000481675089282 ] forces: - [ -0.0002073800000000, -0.0001746000000000, -0.0002284100000000 ] - [ -0.0002081700000000, -0.0001723500000000, -0.0002258800000000 ] - [ 0.0020404600000000, -0.0004557700000000, -0.0003644800000000 ] - [ -0.0007957100000000, 0.0003863100000000, -0.0004301200000000 ] - [ -0.0315960400000000, 0.0032024700000000, -0.0198038300000000 ] - [ 0.0002773400000000, -0.0007234100000000, -0.0004581200000000 ] - [ 0.0001832700000000, 0.0007151900000000, -0.0003409900000000 ] - [ 0.0001833300000000, 0.0007134000000000, -0.0003364200000000 ] - [ -0.0001119400000000, 0.0001403200000000, 0.0002165800000000 ] - [ -0.0001040500000000, 0.0001478100000000, 0.0002144300000000 ] - [ 0.0022786300000000, -0.0011186300000000, 0.0006312600000000 ] - [ -0.0001860300000000, -0.0001352600000000, 0.0001632200000000 ] - [ 0.0007115100000000, -0.0001309600000000, 0.0003614000000000 ] - [ 0.0007764000000000, -0.0002225100000000, 0.0004661300000000 ] - [ 0.0008735100000000, -0.0001099600000000, -0.0007700300000000 ] - [ 0.0007617300000000, 0.0003107900000000, 0.0004670100000000 ] - [ -0.0000904600000000, 0.0000590700000000, -0.0001888800000000 ] - [ -0.0001072200000000, 0.0000391300000000, -0.0001698900000000 ] - [ 0.0004797400000000, 0.0006195900000000, 0.0011995300000000 ] - [ -0.0003285600000000, 0.0000978500000000, 0.0002063900000000 ] - [ -0.0001102700000000, -0.0001656400000000, -0.0002013900000000 ] - [ -0.0013599100000000, 0.0259447300000000, 0.0027906400000000 ] - [ -0.0002008500000000, 0.0001726400000000, -0.0002172100000000 ] - [ -0.0002066000000000, 0.0001690800000000, -0.0002245000000000 ] - [ 0.0001800800000000, -0.0007460900000000, -0.0003405200000000 ] - [ 0.0001817400000000, -0.0007391900000000, -0.0003410200000000 ] - [ 0.0004481600000000, 0.0012537800000000, -0.0009982000000000 ] - [ 0.0004527400000000, 0.0000266200000000, -0.0012464300000000 ] - [ -0.0001087000000000, 0.0000935900000000, 0.0006378700000000 ] - [ 0.0006043400000000, 0.0005917600000000, 0.0010090300000000 ] - [ -0.0001037700000000, -0.0001946700000000, 0.0002088100000000 ] - [ -0.0001089000000000, -0.0001594400000000, 0.0002141900000000 ] - [ 0.0007069200000000, -0.0001929800000000, 0.0003327700000000 ] - [ 0.0006035500000000, -0.0001630200000000, 0.0009946700000000 ] - [ 0.0006700500000000, 0.0001466800000000, 0.0004106900000000 ] - [ 0.0007252200000000, 0.0001377300000000, 0.0003923100000000 ] - [ -0.0002465900000000, 0.0000328700000000, -0.0001320100000000 ] - [ 0.0001655700000000, 0.0003203200000000, -0.0001948700000000 ] - [ -0.0000878000000000, -0.0000742300000000, -0.0001682500000000 ] - [ -0.0001034600000000, -0.0000609500000000, -0.0001657600000000 ] - [ -0.0000979800000000, 0.0005169400000000, -0.0001556900000000 ] - [ -0.0001594900000000, 0.0004276900000000, -0.0001185800000000 ] - [ -0.0003362300000000, 0.0006596900000000, 0.0010182200000000 ] - [ -0.0005540100000000, 0.0000911600000000, 0.0006763300000000 ] - [ -0.0041368500000000, -0.0001907800000000, -0.0007618800000000 ] - [ 0.0001195600000000, 0.0001806200000000, 0.0003969800000000 ] - [ -0.0003107000000000, -0.0003211800000000, 0.0003986800000000 ] - [ -0.0002968600000000, -0.0003214700000000, 0.0003757300000000 ] - [ -0.0006311500000000, -0.0001324600000000, 0.0013038200000000 ] - [ 0.0004270200000000, -0.0010915900000000, 0.0015177200000000 ] - [ 0.0004020600000000, 0.0006459800000000, 0.0000746900000000 ] - [ 0.0004031000000000, 0.0006505200000000, 0.0000766000000000 ] - [ 0.0004327700000000, 0.0002852700000000, 0.0000045400000000 ] - [ 0.0001037900000000, 0.0004087600000000, 0.0000502900000000 ] - [ -0.0000942200000000, -0.0004944400000000, 0.0000729400000000 ] - [ 0.0005605100000000, -0.0000926400000000, -0.0008630500000000 ] - [ -0.0000802500000000, 0.0003901300000000, -0.0002778700000000 ] - [ -0.0002096700000000, 0.0003696000000000, -0.0003538300000000 ] - [ -0.0003421200000000, -0.0004834900000000, -0.0003338700000000 ] - [ 0.0038064300000000, 0.0026546200000000, 0.0003334200000000 ] - [ -0.0003799200000000, -0.0004649600000000, 0.0005655500000000 ] - [ -0.0005303500000000, -0.0002805500000000, 0.0009042800000000 ] - [ -0.0002545000000000, -0.0008938800000000, -0.0007580500000000 ] - [ -0.0006220400000000, 0.0001671200000000, -0.0010900900000000 ] - [ -0.0006523100000000, 0.0008358200000000, -0.0002168400000000 ] - [ -0.0000894200000000, 0.0005201100000000, -0.0001646800000000 ] - [ -0.0001926900000000, 0.0002583500000000, 0.0004370000000000 ] - [ -0.0004034100000000, 0.0003145300000000, 0.0006506600000000 ] - [ -0.0003270700000000, 0.0003869200000000, 0.0003801300000000 ] - [ -0.0003013000000000, 0.0003472900000000, 0.0003759500000000 ] - [ -0.0001250700000000, -0.0000633600000000, 0.0001231100000000 ] - [ 0.0000995300000000, -0.0012827400000000, 0.0006526400000000 ] - [ 0.0004066000000000, -0.0006205100000000, 0.0000762500000000 ] - [ 0.0004090500000000, -0.0006062700000000, 0.0000844700000000 ] - [ 0.0002704300000000, 0.0006453900000000, 0.0001894500000000 ] - [ 0.0258255000000000, -0.0311353100000000, 0.0153914600000000 ] - [ 0.0007016700000000, 0.0017913100000000, -0.0004915100000000 ] - [ 0.0001339400000000, 0.0004420300000000, 0.0000910000000000 ] - [ 0.0000296600000000, -0.0005852200000000, 0.0002462900000000 ] - [ 0.0002688300000000, -0.0003518200000000, 0.0000181200000000 ] - [ -0.0003041500000000, 0.0000563700000000, -0.0005298600000000 ] - [ -0.0000786800000000, 0.0006901200000000, -0.0005863000000000 ] - [ -0.0001620400000000, -0.0003553700000000, -0.0002557000000000 ] - [ -0.0000438400000000, -0.0003676700000000, -0.0002870100000000 ] - [ -0.0004767300000000, -0.0002095600000000, 0.0006965700000000 ] - [ -0.0002511000000000, -0.0005768000000000, 0.0003809700000000 ] - [ -0.0001815100000000, -0.0004422700000000, -0.0001319200000000 ] - [ -0.0001276400000000, -0.0005122400000000, -0.0001868900000000 ] - [ -0.0004893400000000, -0.0012039000000000, -0.0001422200000000 ] - [ 0.0000443300000000, -0.0009218500000000, -0.0002111900000000 ] - [ 0.0004158600000000, 0.0015674200000000, -0.0000011600000000 ] - [ 0.0008050100000000, -0.0022233100000000, 0.0017683700000000 ] - [ -0.0006138700000000, -0.0005099700000000, 0.0008952100000000 ] - [ -0.0001008200000000, -0.0011587400000000, -0.0003659800000000 ] - [ 0.0000147900000000, 0.0009649300000000, -0.0002800900000000 ] - [ -0.0004035300000000, 0.0010698900000000, -0.0001045500000000 ] - [ 0.0001973800000000, 0.0001186400000000, -0.0004237000000000 ] - [ 0.0000341100000000, 0.0000909600000000, -0.0002750300000000 ] - [ -0.0002026300000000, -0.0003503100000000, -0.0007150400000000 ] - [ 0.0011190200000000, 0.0021876200000000, -0.0012796500000000 ] - [ 0.0002276700000000, -0.0006633100000000, -0.0009585300000000 ] - [ 0.0001121300000000, 0.0000515400000000, -0.0003837000000000 ] - [ 0.0000647500000000, -0.0001776900000000, -0.0003957500000000 ] - [ 0.0001961300000000, -0.0002837600000000, -0.0004969500000000 ]- atom: 5 displacement: [ -0.0099998839938813, 0.0000000000000000, 0.0000481675089282 ] forces: - [ -0.0001914800000000, -0.0001691100000000, -0.0002072600000000 ] - [ -0.0001905500000000, -0.0001714100000000, -0.0002097400000000 ] - [ -0.0024514500000000, 0.0007959300000000, -0.0000949700000000 ] - [ 0.0004007800000000, -0.0000437200000000, -0.0000098700000000 ] - [ 0.0316398100000000, -0.0009409400000000, 0.0194451200000000 ] - [ 0.0000830500000000, -0.0007423200000000, -0.0002243000000000 ] - [ 0.0001770200000000, 0.0007506100000000, -0.0003411200000000 ] - [ 0.0001769600000000, 0.0007525000000000, -0.0003459700000000 ] - [ -0.0001006500000000, 0.0001526100000000, 0.0002149200000000 ] - [ -0.0001085700000000, 0.0001448300000000, 0.0002170800000000 ] - [ -0.0025132400000000, 0.0008462000000000, -0.0002108500000000 ] - [ -0.0000268400000000, -0.0001557900000000, 0.0002680400000000 ] - [ 0.0007494500000000, -0.0002673100000000, 0.0005306000000000 ] - [ 0.0006846200000000, -0.0001705500000000, 0.0004201100000000 ] - [ 0.0005985500000000, 0.0005133500000000, 0.0016800900000000 ] - [ 0.0006987400000000, 0.0000835500000000, 0.0004204500000000 ] - [ -0.0000939000000000, 0.0000466400000000, -0.0001843900000000 ] - [ -0.0000766300000000, 0.0000671500000000, -0.0002039700000000 ] - [ -0.0006593100000000, -0.0007383500000000, -0.0016070800000000 ] - [ 0.0001439400000000, -0.0002039500000000, -0.0005811100000000 ] - [ -0.0002877900000000, -0.0001773800000000, -0.0002349000000000 ] - [ 0.0007512000000000, -0.0262100400000000, -0.0028791300000000 ] - [ -0.0001981300000000, 0.0001710800000000, -0.0002188000000000 ] - [ -0.0001928800000000, 0.0001749600000000, -0.0002121500000000 ] - [ 0.0001803300000000, -0.0007203400000000, -0.0003416900000000 ] - [ 0.0001785800000000, -0.0007272600000000, -0.0003413800000000 ] - [ -0.0000932700000000, 0.0002156400000000, 0.0003157800000000 ] - [ -0.0000863600000000, 0.0014391400000000, 0.0005704400000000 ] - [ -0.0000997800000000, 0.0002005400000000, -0.0002076900000000 ] - [ -0.0008195000000000, -0.0003059800000000, -0.0005674900000000 ] - [ -0.0001089500000000, -0.0000963600000000, 0.0002228200000000 ] - [ -0.0001037200000000, -0.0001325000000000, 0.0002174400000000 ] - [ 0.0007541100000000, -0.0002009800000000, 0.0005552200000000 ] - [ 0.0008637700000000, -0.0002300000000000, -0.0001095200000000 ] - [ 0.0007903600000000, 0.0002508100000000, 0.0004805200000000 ] - [ 0.0007350600000000, 0.0002589700000000, 0.0004973700000000 ] - [ 0.0000631900000000, 0.0000739100000000, -0.0002425800000000 ] - [ -0.0003462000000000, -0.0002067100000000, -0.0001713300000000 ] - [ -0.0000961600000000, -0.0000318800000000, -0.0002054800000000 ] - [ -0.0000803100000000, -0.0000448000000000, -0.0002085300000000 ] - [ -0.0001991900000000, 0.0003813000000000, -0.0001094900000000 ] - [ -0.0001372300000000, 0.0004730700000000, -0.0001464700000000 ] - [ -0.0005621800000000, -0.0002793600000000, 0.0002274300000000 ] - [ -0.0003395100000000, 0.0003051400000000, 0.0005828200000000 ] - [ 0.0035582800000000, 0.0008767200000000, 0.0015763500000000 ] - [ -0.0007354700000000, 0.0004835200000000, 0.0003889600000000 ] - [ -0.0003042300000000, -0.0003429400000000, 0.0003850000000000 ] - [ -0.0003181500000000, -0.0003447100000000, 0.0004075700000000 ] - [ 0.0014399100000000, -0.0011562400000000, -0.0011595900000000 ] - [ 0.0003423200000000, -0.0001930400000000, -0.0013833700000000 ] - [ 0.0003841200000000, 0.0006416600000000, 0.0000624400000000 ] - [ 0.0003822400000000, 0.0006373600000000, 0.0000589300000000 ] - [ -0.0001447000000000, 0.0005078500000000, 0.0001272000000000 ] - [ 0.0001908900000000, 0.0003808600000000, 0.0000813000000000 ] - [ 0.0003885900000000, -0.0002905400000000, 0.0000599700000000 ] - [ -0.0002715900000000, -0.0007020200000000, 0.0010128800000000 ] - [ -0.0002254000000000, 0.0003773800000000, -0.0004022000000000 ] - [ -0.0000918900000000, 0.0003959800000000, -0.0003206800000000 ] - [ 0.0000406700000000, -0.0002824800000000, -0.0003413500000000 ] - [ -0.0040640000000000, -0.0034408000000000, -0.0009976400000000 ] - [ -0.0005166400000000, 0.0000757700000000, 0.0006940600000000 ] - [ -0.0003398700000000, -0.0001229400000000, 0.0003622700000000 ] - [ -0.0000480000000000, -0.0000014600000000, 0.0005044600000000 ] - [ 0.0003438900000000, -0.0010545700000000, 0.0008259900000000 ] - [ 0.0003710600000000, 0.0000291300000000, -0.0000368200000000 ] - [ -0.0002065400000000, 0.0003793800000000, -0.0000999200000000 ] - [ -0.0007034500000000, 0.0001259300000000, 0.0008245900000000 ] - [ -0.0004922800000000, 0.0000777300000000, 0.0006095900000000 ] - [ -0.0002885900000000, 0.0002760100000000, 0.0004035000000000 ] - [ -0.0003130100000000, 0.0003185000000000, 0.0004076600000000 ] - [ -0.0004964300000000, -0.0006030100000000, 0.0006611200000000 ] - [ -0.0007178000000000, 0.0006127200000000, 0.0001050400000000 ] - [ 0.0003793400000000, -0.0006679600000000, 0.0000604400000000 ] - [ 0.0003776700000000, -0.0006815500000000, 0.0000530600000000 ] - [ 0.0005151300000000, 0.0006417100000000, -0.0000520400000000 ] - [ -0.0246031000000000, 0.0286336700000000, -0.0159142400000000 ] - [ -0.0003815400000000, -0.0009996700000000, 0.0006135900000000 ] - [ 0.0001597600000000, 0.0003463600000000, 0.0000396600000000 ] - [ 0.0002664700000000, -0.0002024300000000, -0.0001180200000000 ] - [ 0.0000233500000000, -0.0004389800000000, 0.0001135000000000 ] - [ 0.0000079200000000, 0.0007060400000000, -0.0001437600000000 ] - [ -0.0002290000000000, 0.0000755200000000, -0.0000885500000000 ] - [ -0.0001398900000000, -0.0004136600000000, -0.0004213800000000 ] - [ -0.0002597500000000, -0.0003998900000000, -0.0003918500000000 ] - [ -0.0004174600000000, -0.0001867700000000, 0.0005626000000000 ] - [ -0.0006497300000000, 0.0001863800000000, 0.0008798900000000 ] - [ -0.0001145100000000, -0.0004595800000000, -0.0001348400000000 ] - [ -0.0001683400000000, -0.0003879900000000, -0.0000782800000000 ] - [ 0.0003362700000000, -0.0007237600000000, -0.0002942400000000 ] - [ -0.0002102400000000, -0.0010148100000000, -0.0002255800000000 ] - [ -0.0005819000000000, 0.0003581800000000, -0.0004402200000000 ] - [ -0.0010267400000000, 0.0041512300000000, -0.0022544600000000 ] - [ 0.0004208000000000, -0.0013818400000000, -0.0013445400000000 ] - [ -0.0000628000000000, -0.0007734300000000, -0.0000715700000000 ] - [ -0.0001816400000000, 0.0009708800000000, -0.0001524000000000 ] - [ 0.0002435100000000, 0.0008641400000000, -0.0003318000000000 ] - [ -0.0000335700000000, 0.0001222200000000, -0.0003340400000000 ] - [ 0.0001339800000000, 0.0001523700000000, -0.0004889700000000 ] - [ 0.0003686200000000, 0.0001035100000000, -0.0000436300000000 ] - [ -0.0009444900000000, -0.0024591200000000, 0.0005384000000000 ] - [ -0.0000261000000000, 0.0009148500000000, 0.0002012600000000 ] - [ 0.0000553800000000, 0.0001965100000000, -0.0003739600000000 ] - [ 0.0001034800000000, -0.0000636400000000, -0.0003652000000000 ] - [ -0.0000305300000000, 0.0000388500000000, -0.0002651700000000 ]- atom: 5 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001390500000000, 0.0000609900000000, -0.0001220700000000 ] - [ -0.0001563200000000, 0.0001996100000000, -0.0002354000000000 ] - [ -0.0004823100000000, -0.0010138200000000, 0.0005183500000000 ] - [ 0.0001122500000000, -0.0003090000000000, -0.0002929100000000 ] - [ 0.0026740900000000, -0.4129755200000000, -0.0429441400000000 ] - [ 0.0001861300000000, -0.0018379800000000, -0.0003589200000000 ] - [ 0.0001972600000000, 0.0017909700000000, -0.0003393500000000 ] - [ 0.0001950000000000, 0.0017887700000000, -0.0003990300000000 ] - [ 0.0000471000000000, 0.0013032900000000, 0.0001305000000000 ] - [ 0.0000612700000000, 0.0014944000000000, 0.0001050300000000 ] - [ -0.0003760600000000, -0.0029562000000000, -0.0003339300000000 ] - [ 0.0000533300000000, -0.0015541600000000, 0.0002071900000000 ] - [ 0.0008537600000000, -0.0003222900000000, 0.0008323000000000 ] - [ 0.0007783700000000, 0.0017608100000000, -0.0014248500000000 ] - [ 0.0017245600000000, 0.0043531200000000, 0.0095802400000000 ] - [ 0.0006473500000000, -0.0003480000000000, -0.0001338500000000 ] - [ 0.0000064300000000, 0.0002200400000000, -0.0003610300000000 ] - [ 0.0001376400000000, 0.0005076800000000, -0.0006418500000000 ] - [ 0.0006384400000000, -0.0006802900000000, 0.0001257900000000 ] - [ 0.0005098100000000, -0.0008452100000000, -0.0015569800000000 ] - [ -0.0005334200000000, -0.0004370000000000, -0.0006100800000000 ] - [ 0.0009625600000000, 0.0096599200000000, 0.0020619100000000 ] - [ -0.0002690000000000, 0.0005127200000000, -0.0002764900000000 ] - [ -0.0002837200000000, 0.0004384500000000, -0.0002582000000000 ] - [ 0.0001657100000000, 0.0004526900000000, -0.0003076900000000 ] - [ 0.0001711300000000, 0.0001859400000000, -0.0003139900000000 ] - [ 0.0008709100000000, -0.0008694400000000, -0.0014440300000000 ] - [ -0.0003295500000000, -0.0008689300000000, 0.0010563100000000 ] - [ -0.0005142500000000, -0.0017832600000000, -0.0000208100000000 ] - [ 0.0001404000000000, -0.0040572500000000, 0.0010488000000000 ] - [ -0.0003052300000000, 0.0013151100000000, 0.0003360000000000 ] - [ -0.0002350900000000, 0.0008705600000000, 0.0002876200000000 ] - [ 0.0005830200000000, 0.0005834200000000, -0.0005483000000000 ] - [ 0.0002095600000000, 0.0009159700000000, 0.0012438100000000 ] - [ 0.0008138400000000, 0.0010903400000000, 0.0010308500000000 ] - [ 0.0007528800000000, 0.0007579100000000, 0.0008839200000000 ] - [ 0.0000254200000000, 0.0000305800000000, -0.0003813900000000 ] - [ 0.0007562500000000, 0.0001302000000000, 0.0001781200000000 ] - [ -0.0002498100000000, 0.0003005900000000, 0.0000766000000000 ] - [ -0.0002577700000000, 0.0002333500000000, 0.0001831100000000 ] - [ 0.0000744100000000, -0.0017300200000000, 0.0003207600000000 ] - [ 0.0001491200000000, -0.0007054600000000, 0.0003464100000000 ] - [ -0.0012131900000000, -0.0043824700000000, -0.0028113200000000 ] - [ -0.0005991700000000, -0.0001278500000000, 0.0016555700000000 ] - [ -0.0009434300000000, 0.0033388400000000, -0.0000005900000000 ] - [ -0.0008726000000000, 0.0018689200000000, 0.0011227000000000 ] - [ -0.0004779900000000, -0.0014246600000000, 0.0002676600000000 ] - [ -0.0005843500000000, -0.0016496600000000, 0.0006854700000000 ] - [ 0.0002027600000000, 0.0023388200000000, 0.0001550600000000 ] - [ 0.0003116500000000, 0.0022086400000000, 0.0000498600000000 ] - [ 0.0004234500000000, -0.0003892900000000, 0.0001446300000000 ] - [ 0.0003957400000000, -0.0007724400000000, 0.0001252100000000 ] - [ -0.0003819500000000, -0.0012101700000000, -0.0006316900000000 ] - [ 0.0003077000000000, 0.0001863900000000, 0.0004932800000000 ] - [ 0.0005623600000000, 0.0002931400000000, -0.0005800500000000 ] - [ -0.0005787500000000, -0.0026886900000000, 0.0060134000000000 ] - [ -0.0009544800000000, -0.0009633400000000, -0.0013182700000000 ] - [ 0.0000613000000000, -0.0012085200000000, 0.0012222500000000 ] - [ -0.0002668500000000, 0.0007045600000000, -0.0003521100000000 ] - [ 0.0060027100000000, -0.0109785000000000, 0.0064205300000000 ] - [ -0.0006555500000000, 0.0003764100000000, 0.0006238900000000 ] - [ 0.0040252000000000, -0.0043887900000000, 0.0032659600000000 ] - [ -0.0001300900000000, 0.0012226200000000, -0.0003453300000000 ] - [ 0.0029933500000000, 0.0035639300000000, 0.0042454600000000 ] - [ -0.0001963400000000, 0.0006134500000000, 0.0006752600000000 ] - [ -0.0004675500000000, 0.0012857500000000, -0.0004950000000000 ] - [ -0.0006053400000000, -0.0012561100000000, 0.0012436600000000 ] - [ -0.0006183300000000, -0.0004623700000000, 0.0000488600000000 ] - [ -0.0000571800000000, -0.0010912600000000, 0.0003251400000000 ] - [ -0.0000942000000000, -0.0006732600000000, 0.0002654600000000 ] - [ 0.0002781500000000, 0.0008422100000000, 0.0016772300000000 ] - [ -0.0038184800000000, 0.0011168200000000, -0.0031220400000000 ] - [ 0.0004116100000000, -0.0018522300000000, 0.0000356300000000 ] - [ 0.0003944800000000, -0.0018675700000000, -0.0000025700000000 ] - [ 0.0005568300000000, 0.0017105300000000, 0.0001973700000000 ] - [ -0.0023760800000000, 0.4051756700000000, 0.0439346100000000 ] - [ -0.0008078400000000, -0.0018570100000000, 0.0002908600000000 ] - [ 0.0001953100000000, -0.0000197700000000, -0.0005497100000000 ] - [ -0.0003369900000000, -0.0018324100000000, 0.0010858300000000 ] - [ 0.0001628600000000, -0.0013377700000000, -0.0001513000000000 ] - [ -0.0004629700000000, 0.0001862800000000, 0.0016855200000000 ] - [ -0.0000503900000000, 0.0000138100000000, -0.0022396000000000 ] - [ -0.0000666100000000, -0.0015136300000000, -0.0002117400000000 ] - [ 0.0000204200000000, -0.0019156100000000, -0.0005384800000000 ] - [ -0.0002989000000000, -0.0013594400000000, 0.0008950900000000 ] - [ 0.0004258600000000, -0.0024303700000000, -0.0003737600000000 ] - [ -0.0004896400000000, -0.0019461800000000, -0.0003403200000000 ] - [ -0.0004453300000000, -0.0023727000000000, -0.0007654100000000 ] - [ 0.0014422500000000, 0.0037328100000000, 0.0001657600000000 ] - [ -0.0006182700000000, 0.0001416800000000, -0.0015374000000000 ] - [ -0.0001839600000000, -0.0006061700000000, 0.0001588100000000 ] - [ -0.0128391700000000, 0.0062391400000000, -0.0221673800000000 ] - [ 0.0018958000000000, 0.0016851100000000, -0.0027365800000000 ] - [ 0.0006999500000000, -0.0003285000000000, 0.0018505800000000 ] - [ 0.0004241300000000, 0.0031097800000000, -0.0006265500000000 ] - [ -0.0005819500000000, 0.0039958300000000, 0.0006568200000000 ] - [ -0.0005192200000000, 0.0019960900000000, 0.0008641100000000 ] - [ 0.0003081500000000, 0.0017337700000000, -0.0015171900000000 ] - [ -0.0001806700000000, -0.0016728400000000, 0.0006533800000000 ] - [ 0.0027048900000000, -0.0014166000000000, -0.0023968300000000 ] - [ -0.0022120200000000, 0.0066852500000000, -0.0047875700000000 ] - [ 0.0001375800000000, 0.0003670000000000, 0.0006778100000000 ] - [ 0.0000748000000000, 0.0013876600000000, -0.0007458900000000 ] - [ 0.0002001300000000, 0.0022117000000000, 0.0002176700000000 ]- atom: 5 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002729100000000, -0.0004100100000000, -0.0003313300000000 ] - [ -0.0002539600000000, -0.0005520400000000, -0.0002138400000000 ] - [ 0.0000761300000000, 0.0013858000000000, -0.0009779800000000 ] - [ -0.0005302600000000, 0.0006658900000000, -0.0001556600000000 ] - [ -0.0011136700000000, 0.3796886600000000, 0.0388887600000000 ] - [ 0.0001764100000000, 0.0004066200000000, -0.0003215400000000 ] - [ 0.0001649500000000, -0.0003583700000000, -0.0003423000000000 ] - [ 0.0001672800000000, -0.0003581700000000, -0.0002808600000000 ] - [ -0.0002655000000000, -0.0010237600000000, 0.0003012200000000 ] - [ -0.0002801500000000, -0.0012183000000000, 0.0003273200000000 ] - [ 0.0001766200000000, 0.0027024600000000, 0.0007771100000000 ] - [ -0.0002720800000000, 0.0012798000000000, 0.0002232600000000 ] - [ 0.0006032100000000, -0.0000597300000000, 0.0000376800000000 ] - [ 0.0006804200000000, -0.0022004300000000, 0.0023564600000000 ] - [ -0.0002969400000000, -0.0040625800000000, -0.0089807900000000 ] - [ 0.0008151500000000, 0.0007508800000000, 0.0010312400000000 ] - [ -0.0002002300000000, -0.0001149000000000, 0.0000015200000000 ] - [ -0.0003358600000000, -0.0004105500000000, 0.0002908800000000 ] - [ -0.0008383100000000, 0.0005934300000000, -0.0004846600000000 ] - [ -0.0007161300000000, 0.0007559900000000, 0.0012262700000000 ] - [ 0.0001316900000000, 0.0000995300000000, 0.0001698000000000 ] - [ -0.0015377000000000, -0.0098653200000000, -0.0026358000000000 ] - [ -0.0001383100000000, -0.0001780600000000, -0.0001713600000000 ] - [ -0.0001242800000000, -0.0001012800000000, -0.0001912900000000 ] - [ 0.0001973000000000, -0.0019411100000000, -0.0003747000000000 ] - [ 0.0001916200000000, -0.0016649100000000, -0.0003680500000000 ] - [ -0.0005231700000000, 0.0023577200000000, 0.0007843300000000 ] - [ 0.0007047700000000, 0.0023603000000000, -0.0017713200000000 ] - [ 0.0003096500000000, 0.0021326900000000, 0.0004586500000000 ] - [ -0.0003586100000000, 0.0044540100000000, -0.0006366600000000 ] - [ 0.0000955900000000, -0.0016623000000000, 0.0000905000000000 ] - [ 0.0000236600000000, -0.0012047800000000, 0.0001403300000000 ] - [ 0.0008795800000000, -0.0009874600000000, 0.0014514300000000 ] - [ 0.0012644700000000, -0.0013255300000000, -0.0003854100000000 ] - [ 0.0006442100000000, -0.0007260800000000, -0.0001642700000000 ] - [ 0.0007070600000000, -0.0003836500000000, -0.0000126000000000 ] - [ -0.0002193800000000, 0.0000786000000000, 0.0000230300000000 ] - [ -0.0009592100000000, -0.0000199800000000, -0.0005541500000000 ] - [ 0.0000611200000000, -0.0004180000000000, -0.0004451200000000 ] - [ 0.0000700500000000, -0.0003489500000000, -0.0005556500000000 ] - [ -0.0003654000000000, 0.0026609200000000, -0.0005718500000000 ] - [ -0.0004436100000000, 0.0016096800000000, -0.0005986200000000 ] - [ 0.0003452500000000, 0.0049153500000000, 0.0041670400000000 ] - [ -0.0002863000000000, 0.0005424900000000, -0.0004241400000000 ] - [ 0.0003263600000000, -0.0027439600000000, 0.0007806800000000 ] - [ 0.0002737500000000, -0.0012353000000000, -0.0003641100000000 ] - [ -0.0001316900000000, 0.0007815600000000, 0.0005110800000000 ] - [ -0.0000211000000000, 0.0010106800000000, 0.0000811500000000 ] - [ 0.0006120400000000, -0.0036748700000000, -0.0000109700000000 ] - [ 0.0004932400000000, -0.0035488400000000, 0.0001107200000000 ] - [ 0.0003849500000000, 0.0016844800000000, 0.0000089700000000 ] - [ 0.0004115300000000, 0.0020797000000000, 0.0000277300000000 ] - [ 0.0007133600000000, 0.0020255700000000, 0.0007643700000000 ] - [ 0.0000050100000000, 0.0005935200000000, -0.0003903800000000 ] - [ -0.0002586800000000, -0.0010914100000000, 0.0007118800000000 ] - [ 0.0009143300000000, 0.0019716200000000, -0.0060571000000000 ] - [ 0.0006472300000000, 0.0017280200000000, 0.0006685900000000 ] - [ -0.0003969700000000, 0.0019802800000000, -0.0019403900000000 ] - [ -0.0000600000000000, -0.0014645100000000, -0.0003268800000000 ] - [ -0.0065662100000000, 0.0108481800000000, -0.0073128900000000 ] - [ -0.0002276500000000, -0.0008032500000000, 0.0006324000000000 ] - [ -0.0050382700000000, 0.0040914800000000, -0.0020827100000000 ] - [ -0.0001605800000000, -0.0021460700000000, 0.0001011100000000 ] - [ -0.0033587400000000, -0.0045449000000000, -0.0045969200000000 ] - [ -0.0000957900000000, 0.0002516400000000, -0.0009280000000000 ] - [ 0.0001892800000000, -0.0004301900000000, 0.0002611400000000 ] - [ -0.0002813900000000, 0.0016964200000000, -0.0000028800000000 ] - [ -0.0002681800000000, 0.0008836100000000, 0.0012231100000000 ] - [ -0.0005612400000000, 0.0018010600000000, 0.0004508800000000 ] - [ -0.0005244700000000, 0.0013703000000000, 0.0005130600000000 ] - [ -0.0009046300000000, -0.0015405600000000, -0.0009301100000000 ] - [ 0.0032572000000000, -0.0018312200000000, 0.0039578400000000 ] - [ 0.0003941400000000, 0.0006110100000000, 0.0001180100000000 ] - [ 0.0004141800000000, 0.0006292400000000, 0.0001600000000000 ] - [ 0.0002463700000000, -0.0004655900000000, -0.0000476800000000 ] - [ 0.0021969200000000, -0.3726986900000000, -0.0403350400000000 ] - [ 0.0011680400000000, 0.0026946500000000, -0.0001912500000000 ] - [ 0.0001218100000000, 0.0008040700000000, 0.0006767300000000 ] - [ 0.0006693000000000, 0.0010947500000000, -0.0009998300000000 ] - [ 0.0001517900000000, 0.0005831300000000, 0.0002747200000000 ] - [ 0.0001396600000000, 0.0005433900000000, -0.0024049500000000 ] - [ -0.0002789700000000, 0.0007223800000000, 0.0016069500000000 ] - [ -0.0002642500000000, 0.0008115300000000, -0.0004682500000000 ] - [ -0.0003540300000000, 0.0012241400000000, -0.0001317100000000 ] - [ -0.0005942300000000, 0.0009782300000000, 0.0003562100000000 ] - [ -0.0013415400000000, 0.0020799500000000, 0.0016615000000000 ] - [ 0.0002118100000000, 0.0011084100000000, 0.0001047700000000 ] - [ 0.0001661300000000, 0.0015467200000000, 0.0005426000000000 ] - [ -0.0016701800000000, -0.0057544600000000, -0.0006113100000000 ] - [ 0.0004499100000000, -0.0020680500000000, 0.0011363400000000 ] - [ 0.0000071200000000, 0.0025579400000000, -0.0005992100000000 ] - [ 0.0130158000000000, -0.0044440500000000, 0.0223560000000000 ] - [ -0.0021319300000000, -0.0036185500000000, 0.0023660400000000 ] - [ -0.0009027000000000, -0.0015857500000000, -0.0023342000000000 ] - [ -0.0006221600000000, -0.0012612000000000, 0.0002024800000000 ] - [ 0.0004149100000000, -0.0021716700000000, -0.0011197600000000 ] - [ 0.0007068000000000, -0.0017905700000000, -0.0016652400000000 ] - [ -0.0001439800000000, -0.0015224600000000, 0.0007821300000000 ] - [ 0.0003576500000000, 0.0014672300000000, -0.0014406500000000 ] - [ -0.0025945000000000, 0.0012193300000000, 0.0016717700000000 ] - [ 0.0024436100000000, -0.0065665300000000, 0.0041510600000000 ] - [ 0.0000323800000000, -0.0001163500000000, -0.0014642400000000 ] - [ 0.0000960000000000, -0.0016773400000000, -0.0000101600000000 ] - [ -0.0000327900000000, -0.0025224500000000, -0.0010021000000000 ]- atom: 5 displacement: [ -0.0049439770564842, 0.0000000000000000, 0.0086923581877968 ] forces: - [ -0.0001996000000000, -0.0001523600000000, -0.0002101900000000 ] - [ -0.0002025200000000, -0.0001756000000000, -0.0002352600000000 ] - [ -0.0026838700000000, 0.0009650000000000, -0.0002817900000000 ] - [ 0.0005122000000000, -0.0001549200000000, 0.0005962300000000 ] - [ -0.0016160300000000, -0.0352902100000000, -0.0259326300000000 ] - [ 0.0000330600000000, -0.0007472500000000, 0.0000395100000000 ] - [ 0.0001834000000000, 0.0007867600000000, -0.0003406700000000 ] - [ 0.0001793200000000, 0.0007350300000000, -0.0003430900000000 ] - [ -0.0001004600000000, 0.0002005200000000, 0.0002078000000000 ] - [ -0.0001063300000000, 0.0001754100000000, 0.0002175500000000 ] - [ -0.0012670600000000, -0.0001684900000000, -0.0004761200000000 ] - [ 0.0000100300000000, -0.0000339700000000, 0.0004814900000000 ] - [ 0.0007071600000000, -0.0000571800000000, 0.0003457200000000 ] - [ 0.0007289300000000, -0.0002839400000000, 0.0004985600000000 ] - [ 0.0001881100000000, 0.0018458400000000, -0.0013178300000000 ] - [ 0.0006971600000000, 0.0002542600000000, 0.0008264300000000 ] - [ -0.0000960200000000, 0.0000779900000000, -0.0001522600000000 ] - [ -0.0000811700000000, 0.0000543700000000, -0.0002322500000000 ] - [ 0.0002821700000000, -0.0000255200000000, -0.0006979300000000 ] - [ -0.0000220200000000, -0.0000973500000000, 0.0001489500000000 ] - [ -0.0000720500000000, -0.0002088400000000, 0.0000606500000000 ] - [ 0.0000646900000000, 0.0129073500000000, 0.0003771500000000 ] - [ -0.0002154100000000, 0.0001883700000000, -0.0002399200000000 ] - [ -0.0001996700000000, 0.0001783400000000, -0.0002118700000000 ] - [ 0.0001814800000000, -0.0006912800000000, -0.0003402600000000 ] - [ 0.0001800700000000, -0.0006986300000000, -0.0003366700000000 ] - [ -0.0007291600000000, -0.0007472400000000, 0.0008512500000000 ] - [ -0.0005245800000000, 0.0020478300000000, 0.0009959900000000 ] - [ 0.0002995900000000, 0.0001027300000000, 0.0007108500000000 ] - [ 0.0002901700000000, 0.0002698700000000, 0.0001554800000000 ] - [ -0.0001159000000000, -0.0000873500000000, 0.0002188700000000 ] - [ -0.0001060000000000, -0.0001268900000000, 0.0002197700000000 ] - [ 0.0007829700000000, -0.0003862100000000, 0.0007677700000000 ] - [ 0.0009765200000000, -0.0002781100000000, -0.0000314800000000 ] - [ 0.0007816400000000, 0.0002094900000000, 0.0004177600000000 ] - [ 0.0007323200000000, 0.0002319900000000, 0.0004918100000000 ] - [ -0.0002529900000000, -0.0000867300000000, 0.0002898000000000 ] - [ -0.0001984100000000, 0.0000326700000000, -0.0006012100000000 ] - [ -0.0000936100000000, -0.0000288600000000, -0.0002067700000000 ] - [ -0.0000956500000000, -0.0000420800000000, -0.0001672700000000 ] - [ -0.0001498800000000, 0.0003065700000000, -0.0000068100000000 ] - [ -0.0001342500000000, 0.0004553000000000, -0.0002227100000000 ] - [ -0.0005063600000000, 0.0002570900000000, 0.0013082200000000 ] - [ -0.0003667100000000, 0.0003411900000000, 0.0002942700000000 ] - [ 0.0016171100000000, 0.0005112900000000, 0.0020047500000000 ] - [ -0.0007949500000000, 0.0004161200000000, -0.0004534900000000 ] - [ -0.0003175800000000, -0.0004057900000000, 0.0003807200000000 ] - [ -0.0003157400000000, -0.0003462400000000, 0.0004158300000000 ] - [ 0.0027219900000000, -0.0014801600000000, -0.0025977200000000 ] - [ 0.0012487700000000, -0.0000022500000000, -0.0023053900000000 ] - [ 0.0003984400000000, 0.0005900200000000, 0.0000505300000000 ] - [ 0.0004065700000000, 0.0005856400000000, 0.0001060200000000 ] - [ 0.0000191400000000, 0.0004630900000000, 0.0003191900000000 ] - [ 0.0002954100000000, 0.0002335900000000, -0.0002358700000000 ] - [ 0.0002702400000000, -0.0008520900000000, -0.0000555800000000 ] - [ -0.0000057900000000, -0.0001883400000000, 0.0010071500000000 ] - [ -0.0001354200000000, 0.0002603000000000, -0.0002115200000000 ] - [ -0.0001658900000000, 0.0003863500000000, -0.0004670600000000 ] - [ -0.0001957800000000, -0.0004151000000000, -0.0011773600000000 ] - [ -0.0007882200000000, -0.0011988500000000, 0.0073538200000000 ] - [ -0.0004193800000000, -0.0005300400000000, 0.0003381700000000 ] - [ -0.0003822200000000, 0.0002201400000000, 0.0008640500000000 ] - [ -0.0005815700000000, -0.0009192600000000, -0.0004788500000000 ] - [ -0.0003735200000000, 0.0003567300000000, 0.0001816500000000 ] - [ 0.0001941600000000, 0.0007391600000000, 0.0003361900000000 ] - [ -0.0001464700000000, 0.0004236900000000, -0.0005550200000000 ] - [ -0.0002704200000000, 0.0003556800000000, 0.0008910300000000 ] - [ -0.0005191800000000, 0.0001209800000000, 0.0005494000000000 ] - [ -0.0002899900000000, 0.0002595500000000, 0.0004152100000000 ] - [ -0.0003103700000000, 0.0003151200000000, 0.0003816300000000 ] - [ -0.0006586500000000, 0.0001861100000000, -0.0002424400000000 ] - [ -0.0002697900000000, -0.0007646200000000, 0.0006848600000000 ] - [ 0.0004051400000000, -0.0006805200000000, 0.0000867100000000 ] - [ 0.0003960600000000, -0.0006594500000000, 0.0000585500000000 ] - [ 0.0004463200000000, 0.0006904600000000, -0.0005370400000000 ] - [ 0.0044404700000000, 0.0258960300000000, 0.0200178800000000 ] - [ -0.0007860400000000, -0.0009309400000000, 0.0004046400000000 ] - [ 0.0002147500000000, 0.0003889400000000, -0.0001164500000000 ] - [ 0.0000783300000000, -0.0004110700000000, 0.0002024000000000 ] - [ 0.0001219100000000, -0.0004466800000000, 0.0000467500000000 ] - [ 0.0000511400000000, 0.0013398500000000, 0.0000814300000000 ] - [ -0.0005225500000000, -0.0001743800000000, -0.0001402600000000 ] - [ -0.0001975800000000, -0.0003820700000000, -0.0003505000000000 ] - [ -0.0002516000000000, -0.0003784000000000, -0.0003328100000000 ] - [ -0.0005014300000000, -0.0000094600000000, 0.0005080800000000 ] - [ -0.0005624400000000, -0.0000199500000000, 0.0007253600000000 ] - [ -0.0001665100000000, -0.0004673400000000, -0.0000879900000000 ] - [ -0.0001631500000000, -0.0004523400000000, -0.0001145200000000 ] - [ 0.0000429600000000, -0.0007391000000000, -0.0004507400000000 ] - [ -0.0002841000000000, -0.0010343000000000, 0.0001020500000000 ] - [ -0.0000643100000000, 0.0016852400000000, 0.0008102000000000 ] - [ -0.0005972300000000, -0.0014662400000000, -0.0021426500000000 ] - [ 0.0004457300000000, -0.0021227600000000, -0.0017873500000000 ] - [ 0.0000639800000000, -0.0007788600000000, 0.0003385100000000 ] - [ 0.0000508300000000, 0.0008714200000000, -0.0003083100000000 ] - [ 0.0000589500000000, 0.0010154000000000, -0.0002860500000000 ] - [ 0.0000791900000000, 0.0003344700000000, -0.0006423800000000 ] - [ 0.0001023400000000, 0.0000881900000000, -0.0001512800000000 ] - [ 0.0003908400000000, 0.0011051300000000, 0.0009244400000000 ] - [ -0.0011103400000000, -0.0025276900000000, -0.0007347400000000 ] - [ -0.0002215000000000, -0.0012285100000000, -0.0008662700000000 ] - [ 0.0000694700000000, 0.0002347700000000, -0.0000426600000000 ] - [ 0.0000568500000000, -0.0001218100000000, -0.0004040600000000 ] - [ 0.0000073800000000, 0.0000062000000000, -0.0002477300000000 ]- atom: 5 displacement: [ 0.0049439770564842, 0.0000000000000000, -0.0086923581877968 ] forces: - [ -0.0001988000000000, -0.0001930500000000, -0.0002253900000000 ] - [ -0.0001960700000000, -0.0001692800000000, -0.0002012300000000 ] - [ 0.0023179500000000, -0.0006328900000000, -0.0001463900000000 ] - [ -0.0009001000000000, 0.0004953500000000, -0.0010264600000000 ] - [ 0.0014865400000000, 0.0375764600000000, 0.0261687500000000 ] - [ 0.0003278400000000, -0.0007176200000000, -0.0007222800000000 ] - [ 0.0001770600000000, 0.0006773800000000, -0.0003416900000000 ] - [ 0.0001812200000000, 0.0007298400000000, -0.0003395600000000 ] - [ -0.0001108800000000, 0.0000896300000000, 0.0002244600000000 ] - [ -0.0001051700000000, 0.0001138200000000, 0.0002144400000000 ] - [ 0.0010632500000000, -0.0001225700000000, 0.0009074000000000 ] - [ -0.0002208500000000, -0.0002546700000000, -0.0000492700000000 ] - [ 0.0007548200000000, -0.0003428700000000, 0.0005461500000000 ] - [ 0.0007330900000000, -0.0001057300000000, 0.0003823000000000 ] - [ 0.0012577300000000, -0.0014591800000000, 0.0022425200000000 ] - [ 0.0007622400000000, 0.0001356100000000, 0.0000569900000000 ] - [ -0.0000853500000000, 0.0000258500000000, -0.0002225800000000 ] - [ -0.0000992900000000, 0.0000508200000000, -0.0001447000000000 ] - [ -0.0004509900000000, -0.0000751800000000, 0.0003343800000000 ] - [ -0.0001533700000000, -0.0000110300000000, -0.0005330200000000 ] - [ -0.0003245400000000, -0.0001351200000000, -0.0004967400000000 ] - [ -0.0002410300000000, -0.0131976800000000, -0.0009302700000000 ] - [ -0.0001826100000000, 0.0001569100000000, -0.0001955500000000 ] - [ -0.0001982700000000, 0.0001670000000000, -0.0002238700000000 ] - [ 0.0001790500000000, -0.0007724900000000, -0.0003422000000000 ] - [ 0.0001803500000000, -0.0007650500000000, -0.0003458700000000 ] - [ 0.0011041500000000, 0.0022289600000000, -0.0015522900000000 ] - [ 0.0008718600000000, -0.0005697900000000, -0.0016562600000000 ] - [ -0.0005145100000000, 0.0001868900000000, -0.0002784900000000 ] - [ -0.0005074900000000, 0.0000199500000000, 0.0002663800000000 ] - [ -0.0000955900000000, -0.0002014700000000, 0.0002132900000000 ] - [ -0.0001053900000000, -0.0001636900000000, 0.0002124700000000 ] - [ 0.0006755600000000, -0.0000034700000000, 0.0001125500000000 ] - [ 0.0004881000000000, -0.0001086900000000, 0.0009060400000000 ] - [ 0.0006795200000000, 0.0001883100000000, 0.0004721800000000 ] - [ 0.0007290400000000, 0.0001657800000000, 0.0003967600000000 ] - [ 0.0000705500000000, 0.0001927800000000, -0.0006671700000000 ] - [ 0.0000053400000000, 0.0000708000000000, 0.0002280800000000 ] - [ -0.0000875200000000, -0.0000754600000000, -0.0001683300000000 ] - [ -0.0000851700000000, -0.0000622600000000, -0.0002093900000000 ] - [ -0.0001483100000000, 0.0005846500000000, -0.0002611200000000 ] - [ -0.0001642300000000, 0.0004400600000000, -0.0000443600000000 ] - [ -0.0003870800000000, 0.0001246700000000, -0.0000669800000000 ] - [ -0.0005254900000000, 0.0000548800000000, 0.0009683500000000 ] - [ -0.0022571900000000, 0.0001574900000000, -0.0012168500000000 ] - [ 0.0001706000000000, 0.0002542600000000, 0.0012508400000000 ] - [ -0.0002993100000000, -0.0002619200000000, 0.0004124200000000 ] - [ -0.0003011100000000, -0.0003221300000000, 0.0003798200000000 ] - [ -0.0019739600000000, 0.0002156200000000, 0.0027729700000000 ] - [ -0.0004540200000000, -0.0012678300000000, 0.0024098800000000 ] - [ 0.0003842800000000, 0.0006932600000000, 0.0000824800000000 ] - [ 0.0003769800000000, 0.0006961700000000, 0.0000279700000000 ] - [ 0.0002740900000000, 0.0003186300000000, -0.0001935000000000 ] - [ 0.0000000700000000, 0.0005546000000000, 0.0003674600000000 ] - [ 0.0000243000000000, 0.0000764300000000, 0.0001795200000000 ] - [ 0.0002904000000000, -0.0005978300000000, -0.0008562600000000 ] - [ -0.0001704200000000, 0.0004973600000000, -0.0004735000000000 ] - [ -0.0001366900000000, 0.0003689700000000, -0.0002046900000000 ] - [ -0.0001096600000000, -0.0003353500000000, 0.0004983100000000 ] - [ 0.0005082700000000, 0.0003811600000000, -0.0080126400000000 ] - [ -0.0004776900000000, 0.0001458800000000, 0.0009214100000000 ] - [ -0.0004876200000000, -0.0006306200000000, 0.0004078300000000 ] - [ 0.0002842300000000, 0.0000302300000000, 0.0002078400000000 ] - [ 0.0000841600000000, -0.0012478400000000, -0.0004224000000000 ] - [ -0.0004969300000000, 0.0001487800000000, -0.0006091000000000 ] - [ -0.0001520000000000, 0.0004638000000000, 0.0002894300000000 ] - [ -0.0006253200000000, 0.0000300900000000, 0.0003628800000000 ] - [ -0.0003797100000000, 0.0002635500000000, 0.0007133300000000 ] - [ -0.0003268500000000, 0.0004089800000000, 0.0003788400000000 ] - [ -0.0003066800000000, 0.0003535500000000, 0.0004138600000000 ] - [ 0.0000461600000000, -0.0008587900000000, 0.0010360500000000 ] - [ -0.0003272700000000, 0.0000980900000000, 0.0001327600000000 ] - [ 0.0003777100000000, -0.0006010700000000, 0.0000460900000000 ] - [ 0.0003869200000000, -0.0006224100000000, 0.0000753300000000 ] - [ 0.0003361600000000, 0.0005879200000000, 0.0006726400000000 ] - [ -0.0034073800000000, -0.0283718400000000, -0.0207142200000000 ] - [ 0.0010981400000000, 0.0017172100000000, -0.0002957100000000 ] - [ 0.0000817500000000, 0.0003898200000000, 0.0002405600000000 ] - [ 0.0002204700000000, -0.0003719700000000, -0.0000781900000000 ] - [ 0.0001719100000000, -0.0003390300000000, 0.0000849400000000 ] - [ -0.0003620100000000, -0.0006047800000000, -0.0007614400000000 ] - [ 0.0002173900000000, 0.0009131200000000, -0.0005439700000000 ] - [ -0.0001053300000000, -0.0003757900000000, -0.0003310100000000 ] - [ -0.0000531300000000, -0.0003785700000000, -0.0003485700000000 ] - [ -0.0003907200000000, -0.0003890900000000, 0.0007523700000000 ] - [ -0.0003369900000000, -0.0003677600000000, 0.0005401500000000 ] - [ -0.0001312800000000, -0.0004271800000000, -0.0001816700000000 ] - [ -0.0001348800000000, -0.0004388900000000, -0.0001509500000000 ] - [ -0.0002032000000000, -0.0011884200000000, 0.0000236300000000 ] - [ 0.0001175000000000, -0.0009074700000000, -0.0005411100000000 ] - [ -0.0000909800000000, 0.0002389100000000, -0.0012417300000000 ] - [ 0.0004141100000000, 0.0034242300000000, 0.0016121000000000 ] - [ -0.0005995800000000, 0.0002168600000000, 0.0013804400000000 ] - [ -0.0002200600000000, -0.0011433700000000, -0.0007678400000000 ] - [ -0.0002187400000000, 0.0010711500000000, -0.0001197500000000 ] - [ -0.0002199100000000, 0.0009195100000000, -0.0001513600000000 ] - [ 0.0000865700000000, -0.0000956500000000, -0.0001102800000000 ] - [ 0.0000662200000000, 0.0001499100000000, -0.0006132300000000 ] - [ -0.0002307200000000, -0.0013670600000000, -0.0016920500000000 ] - [ 0.0012710400000000, 0.0022646300000000, -0.0000418100000000 ] - [ 0.0003754500000000, 0.0014780600000000, 0.0001317100000000 ] - [ 0.0000946000000000, 0.0000084500000000, -0.0007246200000000 ] - [ 0.0001115400000000, -0.0001134100000000, -0.0003539200000000 ] - [ 0.0001591300000000, -0.0002478300000000, -0.0005155700000000 ]- atom: 9 displacement: [ 0.0099998839938813, 0.0000000000000000, -0.0000481675089282 ] forces: - [ 0.0010211600000000, -0.0051892400000000, 0.0020754400000000 ] - [ 0.0000905600000000, -0.0000907100000000, -0.0001219700000000 ] - [ -0.0002110300000000, 0.0002221700000000, -0.0002300100000000 ] - [ -0.0002161000000000, 0.0002101000000000, -0.0002344900000000 ] - [ 0.0001767400000000, -0.0005735000000000, -0.0003358000000000 ] - [ 0.0001848700000000, -0.0005594200000000, -0.0003377300000000 ] - [ 0.0025837900000000, 0.0010106100000000, -0.0003095700000000 ] - [ 0.0001039700000000, 0.0005663300000000, -0.0002522400000000 ] - [ -0.0335477500000000, -0.0078510900000000, 0.0132572600000000 ] - [ -0.0000487600000000, 0.0000200100000000, 0.0002409500000000 ] - [ -0.0001309800000000, 0.0000255000000000, 0.0002263800000000 ] - [ -0.0001310000000000, 0.0000446500000000, 0.0002335900000000 ] - [ 0.0005658800000000, -0.0001349300000000, 0.0002563600000000 ] - [ 0.0007240900000000, -0.0001809600000000, 0.0004792400000000 ] - [ 0.0007681600000000, 0.0005009500000000, 0.0007181600000000 ] - [ 0.0007506500000000, 0.0002643200000000, 0.0004807200000000 ] - [ 0.0011046400000000, 0.0203212800000000, -0.0018299600000000 ] - [ -0.0000502300000000, 0.0000349500000000, -0.0001973000000000 ] - [ -0.0001226800000000, 0.0000006100000000, -0.0001308400000000 ] - [ -0.0001165700000000, -0.0000119500000000, -0.0001508300000000 ] - [ -0.0002115100000000, -0.0001186500000000, -0.0002160100000000 ] - [ -0.0001869900000000, -0.0001340900000000, -0.0002166600000000 ] - [ 0.0006442800000000, 0.0000640100000000, 0.0002036100000000 ] - [ -0.0004805800000000, 0.0001587600000000, -0.0002696000000000 ] - [ 0.0001762400000000, -0.0011409900000000, 0.0001252800000000 ] - [ 0.0008980200000000, -0.0004909800000000, 0.0005217200000000 ] - [ 0.0001848800000000, 0.0009294300000000, -0.0003485600000000 ] - [ 0.0001798400000000, 0.0008581400000000, -0.0003400100000000 ] - [ -0.0000858700000000, 0.0003592500000000, 0.0001987400000000 ] - [ -0.0000854000000000, 0.0003190900000000, 0.0002026400000000 ] - [ 0.0000290900000000, -0.0006884200000000, -0.0004511600000000 ] - [ 0.0000190800000000, -0.0001453200000000, -0.0006877900000000 ] - [ 0.0007110800000000, 0.0002429100000000, 0.0000452900000000 ] - [ 0.0007352800000000, -0.0002023200000000, 0.0004720500000000 ] - [ 0.0006443600000000, -0.0001077000000000, 0.0002947600000000 ] - [ 0.0006853400000000, 0.0005204800000000, 0.0009797600000000 ] - [ -0.0000576500000000, 0.0001144700000000, -0.0002280600000000 ] - [ -0.0000802700000000, 0.0000855900000000, -0.0002284700000000 ] - [ -0.0000941300000000, 0.0009234300000000, -0.0024103700000000 ] - [ 0.0002567300000000, -0.0001542200000000, -0.0004053000000000 ] - [ -0.0003511800000000, 0.0012734100000000, -0.0001192600000000 ] - [ -0.0000052800000000, 0.0000008700000000, -0.0005436800000000 ] - [ -0.0001218300000000, -0.0002172800000000, -0.0000070600000000 ] - [ -0.0006205200000000, 0.0000245300000000, 0.0007795000000000 ] - [ -0.0002739900000000, 0.0001600000000000, 0.0003611700000000 ] - [ -0.0002683100000000, 0.0001369900000000, 0.0003965200000000 ] - [ 0.0225719200000000, -0.0064155300000000, -0.0128476800000000 ] - [ -0.0005062300000000, -0.0002427900000000, 0.0002377600000000 ] - [ 0.0003935700000000, -0.0008611900000000, 0.0000681100000000 ] - [ 0.0004074700000000, -0.0007847900000000, 0.0000700200000000 ] - [ -0.0001020400000000, 0.0022435600000000, -0.0006506400000000 ] - [ 0.0001351200000000, 0.0006099500000000, -0.0006366300000000 ] - [ 0.0000128700000000, 0.0003911500000000, -0.0001402300000000 ] - [ 0.0002183800000000, 0.0001752900000000, 0.0008131800000000 ] - [ -0.0000991600000000, -0.0005208300000000, 0.0002091500000000 ] - [ 0.0001963900000000, -0.0004075500000000, 0.0000107400000000 ] - [ -0.0004341200000000, 0.0002773500000000, -0.0003896600000000 ] - [ -0.0000780500000000, 0.0005528700000000, -0.0002526500000000 ] - [ -0.0001604000000000, -0.0005667500000000, -0.0002840300000000 ] - [ -0.0001836300000000, -0.0006235500000000, -0.0005604200000000 ] - [ -0.0003822800000000, -0.0003259300000000, 0.0007403100000000 ] - [ -0.0003890600000000, -0.0003153000000000, 0.0004990600000000 ] - [ -0.0001956800000000, -0.0007165400000000, -0.0001456900000000 ] - [ -0.0001831100000000, -0.0006435100000000, -0.0001872400000000 ] - [ -0.0000632600000000, 0.0002219600000000, -0.0000204600000000 ] - [ -0.0001895700000000, 0.0001933200000000, -0.0001203300000000 ] - [ -0.0002100600000000, 0.0001239600000000, 0.0008769300000000 ] - [ -0.0005579000000000, -0.0001363500000000, 0.0003799000000000 ] - [ -0.0008527500000000, 0.0004050500000000, 0.0013077300000000 ] - [ -0.0005654000000000, 0.0008102400000000, 0.0011212800000000 ] - [ -0.0003430500000000, -0.0005278200000000, 0.0004091800000000 ] - [ -0.0003403600000000, -0.0004955800000000, 0.0003754400000000 ] - [ -0.0027336500000000, 0.0004350400000000, -0.0005766700000000 ] - [ 0.0006307000000000, -0.0004937300000000, 0.0000201400000000 ] - [ 0.0004178800000000, 0.0004255900000000, 0.0000730500000000 ] - [ 0.0003994200000000, 0.0004616500000000, 0.0000975100000000 ] - [ 0.0002204600000000, 0.0002796200000000, 0.0001697800000000 ] - [ 0.0001276000000000, 0.0003438900000000, 0.0000226000000000 ] - [ -0.0003645000000000, -0.0003597900000000, 0.0003314500000000 ] - [ 0.0002555600000000, -0.0002418000000000, -0.0000505800000000 ] - [ -0.0001043300000000, 0.0000699900000000, -0.0000279400000000 ] - [ -0.0002305700000000, 0.0002440900000000, -0.0004294500000000 ] - [ -0.0007330900000000, -0.0008750800000000, -0.0011542700000000 ] - [ -0.0001762300000000, 0.0000018800000000, -0.0004328900000000 ] - [ -0.0003926300000000, -0.0021576000000000, -0.0007498800000000 ] - [ -0.0005614600000000, -0.0000734700000000, 0.0006818500000000 ] - [ 0.0038274900000000, -0.0067583900000000, 0.0000818100000000 ] - [ -0.0002776100000000, -0.0002079500000000, 0.0000928600000000 ] - [ 0.0000016700000000, -0.0018009600000000, 0.0007122700000000 ] - [ 0.0000984600000000, -0.0012080100000000, -0.0007666800000000 ] - [ 0.0000008900000000, 0.0012844000000000, -0.0003167000000000 ] - [ -0.0000956700000000, 0.0011606400000000, -0.0000586500000000 ] - [ -0.0002993800000000, -0.0006302800000000, -0.0005177000000000 ] - [ 0.0001298200000000, -0.0005936300000000, -0.0001468500000000 ] - [ 0.0048109600000000, 0.0059725800000000, 0.0019728600000000 ] - [ 0.0000007500000000, 0.0005640900000000, -0.0001032800000000 ] - [ 0.0005469900000000, 0.0021336800000000, 0.0012725000000000 ] - [ 0.0002309400000000, -0.0004251600000000, -0.0002299400000000 ] - [ 0.0000096900000000, 0.0005958800000000, -0.0005184700000000 ] - [ 0.0000926600000000, 0.0000901200000000, -0.0003363000000000 ] - [ 0.0001588100000000, 0.0003881800000000, -0.0005503800000000 ] - [ -0.0000327200000000, 0.0003808600000000, -0.0000511600000000 ] - [ 0.0002160300000000, -0.0026704900000000, -0.0007790500000000 ] - [ -0.0000146800000000, -0.0001575600000000, -0.0005613900000000 ]- atom: 9 displacement: [ -0.0099998839938813, 0.0000000000000000, 0.0000481675089282 ] forces: - [ -0.0014493100000000, 0.0048511500000000, -0.0026085300000000 ] - [ -0.0004990300000000, -0.0002526200000000, -0.0003242200000000 ] - [ -0.0001989500000000, 0.0001209100000000, -0.0002192900000000 ] - [ -0.0001933600000000, 0.0001333500000000, -0.0002132600000000 ] - [ 0.0001852900000000, -0.0008871000000000, -0.0003450000000000 ] - [ 0.0001773400000000, -0.0009013300000000, -0.0003427500000000 ] - [ -0.0022069300000000, 0.0004627300000000, -0.0003629300000000 ] - [ 0.0002590500000000, 0.0008930000000000, -0.0004288100000000 ] - [ 0.0337712900000000, 0.0114030200000000, -0.0129618400000000 ] - [ -0.0001673500000000, 0.0002880600000000, 0.0001883100000000 ] - [ -0.0000843700000000, -0.0003313300000000, 0.0002032300000000 ] - [ -0.0000844900000000, -0.0003513600000000, 0.0001962300000000 ] - [ 0.0008905500000000, -0.0002413900000000, 0.0006192200000000 ] - [ 0.0007357700000000, -0.0002063500000000, 0.0004041000000000 ] - [ 0.0006915700000000, -0.0001116400000000, 0.0001666600000000 ] - [ 0.0007088700000000, 0.0001246600000000, 0.0004039700000000 ] - [ -0.0015291200000000, -0.0200999300000000, 0.0012290700000000 ] - [ -0.0001426500000000, 0.0000740700000000, -0.0001642200000000 ] - [ -0.0000679700000000, -0.0001108000000000, -0.0002357200000000 ] - [ -0.0000744200000000, -0.0000975500000000, -0.0002138700000000 ] - [ -0.0001970500000000, -0.0002242500000000, -0.0002306900000000 ] - [ -0.0002213800000000, -0.0002087500000000, -0.0002301700000000 ] - [ -0.0010487700000000, 0.0002693500000000, -0.0006264700000000 ] - [ 0.0000705100000000, 0.0001845800000000, -0.0001770900000000 ] - [ 0.0001820800000000, -0.0003198900000000, -0.0008045700000000 ] - [ -0.0005294900000000, -0.0009808700000000, -0.0012106100000000 ] - [ 0.0001769900000000, 0.0005278200000000, -0.0003318100000000 ] - [ 0.0001821500000000, 0.0006000100000000, -0.0003404200000000 ] - [ -0.0001296700000000, -0.0000532600000000, 0.0002309300000000 ] - [ -0.0001302400000000, -0.0000104800000000, 0.0002269900000000 ] - [ -0.0002364100000000, 0.0003824400000000, 0.0008850100000000 ] - [ -0.0002441100000000, -0.0001598900000000, 0.0011160300000000 ] - [ 0.0007483500000000, -0.0006286900000000, 0.0008369600000000 ] - [ 0.0007244700000000, -0.0001874000000000, 0.0004135000000000 ] - [ 0.0008132700000000, 0.0004932000000000, 0.0005900600000000 ] - [ 0.0007730100000000, -0.0001323800000000, -0.0000968300000000 ] - [ -0.0001333700000000, -0.0000046400000000, -0.0001366400000000 ] - [ -0.0001119300000000, 0.0000238000000000, -0.0001349300000000 ] - [ -0.0000687100000000, -0.0010314100000000, 0.0020345200000000 ] - [ -0.0004462700000000, 0.0000443800000000, 0.0000417500000000 ] - [ 0.0000547800000000, -0.0003906100000000, -0.0001337300000000 ] - [ -0.0002671000000000, 0.0008819600000000, 0.0002923300000000 ] - [ -0.0007848800000000, 0.0006153600000000, 0.0012690100000000 ] - [ -0.0002736700000000, 0.0003805900000000, 0.0004809000000000 ] - [ -0.0003411300000000, 0.0005083500000000, 0.0004134000000000 ] - [ -0.0003462500000000, 0.0005331700000000, 0.0003767600000000 ] - [ -0.0232968900000000, 0.0023785800000000, 0.0140944700000000 ] - [ -0.0001042200000000, -0.0004305100000000, 0.0005323600000000 ] - [ 0.0004157900000000, -0.0004055900000000, 0.0000899000000000 ] - [ 0.0004012500000000, -0.0004834900000000, 0.0000865800000000 ] - [ 0.0009089900000000, -0.0009670200000000, 0.0008377700000000 ] - [ 0.0006770200000000, 0.0006587800000000, 0.0007911800000000 ] - [ 0.0003173600000000, 0.0003786800000000, 0.0002444700000000 ] - [ 0.0001012300000000, 0.0005991000000000, -0.0007105900000000 ] - [ 0.0004350900000000, -0.0002405900000000, -0.0000998700000000 ] - [ 0.0001266300000000, -0.0003705800000000, 0.0001016600000000 ] - [ 0.0001037900000000, 0.0004385300000000, -0.0002964900000000 ] - [ -0.0002514300000000, 0.0001821800000000, -0.0004198500000000 ] - [ -0.0001667400000000, -0.0001702600000000, -0.0003918100000000 ] - [ -0.0001462700000000, -0.0001155800000000, -0.0001137700000000 ] - [ -0.0005078100000000, -0.0000893500000000, 0.0005208100000000 ] - [ -0.0005086800000000, -0.0000895100000000, 0.0007647400000000 ] - [ -0.0000905900000000, -0.0001694700000000, -0.0001000200000000 ] - [ -0.0001078000000000, -0.0002445500000000, -0.0000577600000000 ] - [ -0.0002255300000000, 0.0006672900000000, -0.0002240200000000 ] - [ -0.0001008500000000, 0.0006954800000000, -0.0001247300000000 ] - [ -0.0006843000000000, 0.0002845300000000, 0.0003844700000000 ] - [ -0.0003370500000000, 0.0005442300000000, 0.0008802600000000 ] - [ 0.0002162900000000, 0.0002665700000000, -0.0005379300000000 ] - [ -0.0000418100000000, -0.0001406300000000, -0.0003489200000000 ] - [ -0.0002712000000000, -0.0001403400000000, 0.0003636000000000 ] - [ -0.0002722300000000, -0.0001748700000000, 0.0003949100000000 ] - [ 0.0035286700000000, -0.0016806200000000, 0.0007076700000000 ] - [ 0.0001775100000000, -0.0007758100000000, 0.0001374500000000 ] - [ 0.0003891200000000, 0.0008465600000000, 0.0000819300000000 ] - [ 0.0004075400000000, 0.0008100700000000, 0.0000574800000000 ] - [ 0.0001040800000000, 0.0004982800000000, -0.0000566500000000 ] - [ 0.0001962700000000, 0.0004341300000000, 0.0000895100000000 ] - [ 0.0006589800000000, -0.0004221100000000, -0.0002214600000000 ] - [ 0.0000687000000000, -0.0005331200000000, 0.0001598800000000 ] - [ -0.0002231600000000, 0.0006694300000000, -0.0006419400000000 ] - [ -0.0000968000000000, 0.0004978300000000, -0.0002429200000000 ] - [ 0.0003936900000000, 0.0001415500000000, 0.0004760000000000 ] - [ -0.0001518800000000, -0.0007396400000000, -0.0002420400000000 ] - [ -0.0004981800000000, 0.0017388200000000, 0.0019969700000000 ] - [ -0.0003343200000000, -0.0003302100000000, 0.0005785600000000 ] - [ -0.0042053600000000, 0.0059172800000000, -0.0003197800000000 ] - [ -0.0000100500000000, -0.0006776800000000, -0.0003370200000000 ] - [ -0.0001730200000000, -0.0000755400000000, -0.0011240000000000 ] - [ -0.0002776400000000, -0.0006935300000000, 0.0003413200000000 ] - [ -0.0001977100000000, 0.0006186000000000, -0.0001107800000000 ] - [ -0.0000818800000000, 0.0007426500000000, -0.0003798800000000 ] - [ 0.0001162300000000, -0.0012740600000000, 0.0000764500000000 ] - [ -0.0003097700000000, -0.0013116500000000, -0.0002907600000000 ] - [ -0.0049634900000000, -0.0041052700000000, -0.0023986700000000 ] - [ -0.0001809600000000, 0.0013348400000000, -0.0003341500000000 ] - [ -0.0003910900000000, -0.0018848200000000, -0.0020602700000000 ] - [ -0.0000643400000000, 0.0006916200000000, -0.0005416300000000 ] - [ 0.0001667900000000, -0.0008556700000000, -0.0002457900000000 ] - [ 0.0000772100000000, -0.0003442400000000, -0.0004289800000000 ] - [ 0.0000124300000000, -0.0001325400000000, -0.0002166900000000 ] - [ 0.0002030700000000, -0.0001254000000000, -0.0007115500000000 ] - [ -0.0000533900000000, 0.0023853800000000, -0.0000002400000000 ] - [ 0.0001857500000000, -0.0000988100000000, -0.0002039400000000 ]- atom: 9 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0078589600000000, -0.0010364000000000, -0.0065346600000000 ] - [ -0.0000934800000000, -0.0002519900000000, -0.0002564000000000 ] - [ -0.0003017400000000, 0.0005800600000000, -0.0002254100000000 ] - [ -0.0002736200000000, 0.0005017500000000, -0.0002981600000000 ] - [ 0.0001679100000000, 0.0004206700000000, -0.0002921900000000 ] - [ 0.0001744600000000, 0.0006105800000000, -0.0003172300000000 ] - [ 0.0011465600000000, -0.0020707000000000, 0.0002269600000000 ] - [ 0.0001628600000000, -0.0006716300000000, -0.0004836400000000 ] - [ -0.0105098200000000, -0.3537223100000000, 0.0317154500000000 ] - [ -0.0002395800000000, -0.0015320300000000, 0.0002092800000000 ] - [ -0.0003020600000000, 0.0012943300000000, 0.0003050700000000 ] - [ -0.0002832700000000, 0.0012944900000000, 0.0003466200000000 ] - [ 0.0009658500000000, 0.0007620200000000, 0.0000070100000000 ] - [ 0.0007965300000000, 0.0001087900000000, 0.0001953400000000 ] - [ 0.0008065300000000, 0.0013575700000000, 0.0014368600000000 ] - [ 0.0008157600000000, 0.0009054200000000, 0.0008954500000000 ] - [ 0.0018966300000000, 0.0073158300000000, -0.0061329000000000 ] - [ -0.0003485800000000, -0.0003538600000000, 0.0005129200000000 ] - [ -0.0002775900000000, 0.0003729700000000, 0.0002900800000000 ] - [ -0.0002611800000000, 0.0002832700000000, 0.0000854100000000 ] - [ -0.0001551500000000, 0.0002558600000000, -0.0001087400000000 ] - [ -0.0001197600000000, 0.0001017900000000, -0.0002288300000000 ] - [ 0.0007534100000000, -0.0004438900000000, -0.0003958700000000 ] - [ -0.0000777500000000, -0.0004470900000000, 0.0001912200000000 ] - [ 0.0001201700000000, -0.0026673500000000, -0.0004304600000000 ] - [ 0.0006209400000000, -0.0049399200000000, 0.0000464200000000 ] - [ 0.0002219200000000, 0.0022005500000000, -0.0003888600000000 ] - [ 0.0001859300000000, 0.0017533000000000, -0.0003651500000000 ] - [ 0.0000954000000000, 0.0018138300000000, 0.0000784000000000 ] - [ 0.0000548000000000, 0.0014529300000000, 0.0001146300000000 ] - [ -0.0001121000000000, -0.0035304600000000, 0.0005372800000000 ] - [ 0.0004164600000000, -0.0035330200000000, -0.0006159500000000 ] - [ 0.0005073800000000, 0.0021391900000000, -0.0014793500000000 ] - [ 0.0007386200000000, -0.0000322000000000, 0.0003665500000000 ] - [ 0.0003006200000000, -0.0004068300000000, -0.0009199500000000 ] - [ 0.0003225200000000, 0.0016243400000000, 0.0021518800000000 ] - [ 0.0001012500000000, 0.0005374900000000, -0.0003724100000000 ] - [ 0.0000785800000000, 0.0003355800000000, -0.0006522400000000 ] - [ 0.0033622100000000, -0.0017772900000000, -0.0083365000000000 ] - [ 0.0001104300000000, -0.0001273800000000, -0.0002659500000000 ] - [ 0.0004142100000000, 0.0020987600000000, -0.0018794700000000 ] - [ -0.0017331300000000, -0.0005454700000000, 0.0062984300000000 ] - [ 0.0000169600000000, -0.0013225800000000, -0.0004596000000000 ] - [ -0.0008352900000000, -0.0015162800000000, 0.0014331900000000 ] - [ -0.0000450100000000, -0.0010690000000000, 0.0001806700000000 ] - [ -0.0000485200000000, -0.0010918000000000, 0.0003779000000000 ] - [ 0.0178740300000000, 0.3550484500000000, -0.0285294000000000 ] - [ -0.0001780800000000, 0.0010086300000000, 0.0002391300000000 ] - [ 0.0004175000000000, -0.0023171100000000, -0.0000307800000000 ] - [ 0.0004058900000000, -0.0018667400000000, 0.0000462800000000 ] - [ 0.0041593300000000, 0.0039099500000000, 0.0039507400000000 ] - [ -0.0000440000000000, 0.0022727900000000, -0.0008801500000000 ] - [ -0.0000299300000000, -0.0002309300000000, -0.0009192500000000 ] - [ 0.0005046200000000, -0.0009356100000000, 0.0013817900000000 ] - [ -0.0008063000000000, -0.0029593800000000, 0.0006448100000000 ] - [ 0.0000480900000000, -0.0012700700000000, 0.0003443800000000 ] - [ -0.0009436100000000, 0.0003746300000000, -0.0013860600000000 ] - [ 0.0005402100000000, 0.0008434800000000, 0.0011337400000000 ] - [ -0.0000597400000000, -0.0020184700000000, -0.0000458600000000 ] - [ -0.0001013600000000, -0.0018690000000000, -0.0008164200000000 ] - [ -0.0003471200000000, -0.0018438000000000, 0.0006553600000000 ] - [ 0.0000277300000000, -0.0016226000000000, -0.0002099100000000 ] - [ -0.0008229500000000, -0.0027546000000000, -0.0005864900000000 ] - [ -0.0004318000000000, -0.0021402000000000, -0.0005090000000000 ] - [ 0.0002929100000000, -0.0015595400000000, 0.0007893900000000 ] - [ -0.0000434000000000, -0.0013071900000000, -0.0001979700000000 ] - [ -0.0002842800000000, -0.0013639600000000, 0.0025005100000000 ] - [ -0.0006962700000000, -0.0010757000000000, -0.0004226000000000 ] - [ -0.0024005200000000, 0.0035607000000000, 0.0044780900000000 ] - [ -0.0002877400000000, 0.0028942400000000, -0.0005638100000000 ] - [ -0.0006106200000000, -0.0020210000000000, 0.0004474600000000 ] - [ -0.0005603400000000, -0.0015632500000000, 0.0004878900000000 ] - [ -0.0001859600000000, 0.0028416500000000, 0.0002086300000000 ] - [ 0.0003926200000000, 0.0010912700000000, 0.0000699000000000 ] - [ 0.0004302800000000, -0.0009191000000000, 0.0000077900000000 ] - [ 0.0004164300000000, -0.0007199500000000, 0.0002764900000000 ] - [ 0.0002105300000000, -0.0003388600000000, 0.0010160600000000 ] - [ 0.0005980400000000, -0.0008176600000000, -0.0011780600000000 ] - [ -0.0062610800000000, -0.0051589800000000, 0.0002208600000000 ] - [ 0.0004102200000000, 0.0001045600000000, -0.0000842000000000 ] - [ 0.0000401300000000, -0.0017195300000000, 0.0011326100000000 ] - [ -0.0004044200000000, -0.0006956000000000, -0.0009366500000000 ] - [ -0.0036415300000000, 0.0000580100000000, -0.0064550800000000 ] - [ 0.0000811700000000, 0.0008899900000000, 0.0006199700000000 ] - [ 0.0001856000000000, -0.0077282700000000, -0.0045500100000000 ] - [ -0.0006150500000000, 0.0001535000000000, 0.0012318100000000 ] - [ -0.0113607500000000, -0.0170253900000000, -0.0061695700000000 ] - [ 0.0001325400000000, 0.0011292400000000, 0.0002234500000000 ] - [ -0.0004611000000000, -0.0000703500000000, 0.0025588800000000 ] - [ -0.0014158100000000, 0.0020106000000000, -0.0043163300000000 ] - [ 0.0010966000000000, 0.0047145200000000, -0.0008004800000000 ] - [ -0.0001093300000000, 0.0032817100000000, 0.0001492600000000 ] - [ -0.0004127700000000, 0.0021793300000000, -0.0023036200000000 ] - [ -0.0001450500000000, 0.0013285600000000, 0.0008914400000000 ] - [ 0.0167146700000000, 0.0159373000000000, 0.0173724500000000 ] - [ -0.0004944200000000, -0.0003942100000000, -0.0010983700000000 ] - [ 0.0014473100000000, 0.0051020800000000, 0.0062458600000000 ] - [ 0.0002708900000000, 0.0006172000000000, -0.0017417900000000 ] - [ -0.0002220900000000, 0.0028519300000000, -0.0004997100000000 ] - [ 0.0001616900000000, 0.0016222500000000, -0.0003525300000000 ] - [ 0.0003076500000000, 0.0026765800000000, -0.0020894400000000 ] - [ -0.0002215500000000, 0.0019470800000000, 0.0013423100000000 ] - [ -0.0040115100000000, 0.0000230800000000, 0.0016920300000000 ] - [ -0.0000345400000000, -0.0011981700000000, -0.0012489300000000 ]- atom: 9 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0075811600000000, 0.0007100400000000, 0.0061966600000000 ] - [ -0.0003166800000000, -0.0000882100000000, -0.0001907800000000 ] - [ -0.0001045400000000, -0.0002471900000000, -0.0002228900000000 ] - [ -0.0001341400000000, -0.0001660500000000, -0.0001488500000000 ] - [ 0.0001948400000000, -0.0019078100000000, -0.0003899500000000 ] - [ 0.0001881100000000, -0.0021029800000000, -0.0003641400000000 ] - [ -0.0008071500000000, 0.0035878400000000, -0.0009203000000000 ] - [ 0.0002001800000000, 0.0021619200000000, -0.0001946700000000 ] - [ 0.0085066700000000, 0.3249151100000000, -0.0288910700000000 ] - [ 0.0000275400000000, 0.0018788000000000, 0.0002200900000000 ] - [ 0.0000919300000000, -0.0016375400000000, 0.0001227500000000 ] - [ 0.0000726400000000, -0.0016374300000000, 0.0000802600000000 ] - [ 0.0004894800000000, -0.0011696200000000, 0.0008873400000000 ] - [ 0.0006624200000000, -0.0005029800000000, 0.0006924300000000 ] - [ 0.0006513300000000, -0.0009990000000000, -0.0005792600000000 ] - [ 0.0006423600000000, -0.0005310600000000, -0.0000197700000000 ] - [ -0.0022219600000000, -0.0070874600000000, 0.0060177600000000 ] - [ 0.0001624700000000, 0.0004719000000000, -0.0008927300000000 ] - [ 0.0000899600000000, -0.0004923700000000, -0.0006652400000000 ] - [ 0.0000730700000000, -0.0003998400000000, -0.0004547700000000 ] - [ -0.0002544500000000, -0.0006091500000000, -0.0003417500000000 ] - [ -0.0002911600000000, -0.0004512400000000, -0.0002192400000000 ] - [ -0.0011808400000000, 0.0008055900000000, -0.0000497800000000 ] - [ -0.0003336600000000, 0.0008048900000000, -0.0006482600000000 ] - [ 0.0002420900000000, 0.0012497700000000, -0.0002522400000000 ] - [ -0.0002631500000000, 0.0035702000000000, -0.0007306900000000 ] - [ 0.0001394400000000, -0.0007765500000000, -0.0002907800000000 ] - [ 0.0001763600000000, -0.0003191300000000, -0.0003151000000000 ] - [ -0.0003151300000000, -0.0015470900000000, 0.0003549800000000 ] - [ -0.0002734900000000, -0.0011752400000000, 0.0003176700000000 ] - [ -0.0000991300000000, 0.0032963400000000, -0.0001207900000000 ] - [ -0.0006462800000000, 0.0032936700000000, 0.0010701300000000 ] - [ 0.0009584100000000, -0.0025871300000000, 0.0024122200000000 ] - [ 0.0007212200000000, -0.0003596900000000, 0.0005186100000000 ] - [ 0.0011695600000000, 0.0008144500000000, 0.0018381700000000 ] - [ 0.0011480800000000, -0.0012710000000000, -0.0013108600000000 ] - [ -0.0002976000000000, -0.0004402200000000, 0.0000130700000000 ] - [ -0.0002746100000000, -0.0002331900000000, 0.0003001600000000 ] - [ -0.0036296100000000, 0.0017353900000000, 0.0081621700000000 ] - [ -0.0003092000000000, 0.0000210200000000, -0.0000933600000000 ] - [ -0.0007152800000000, -0.0012545200000000, 0.0016744600000000 ] - [ 0.0014739300000000, 0.0014341800000000, -0.0066531300000000 ] - [ -0.0009288600000000, 0.0017655200000000, 0.0017517600000000 ] - [ -0.0000482000000000, 0.0019554200000000, -0.0001891800000000 ] - [ -0.0005741400000000, 0.0017751100000000, 0.0005993400000000 ] - [ -0.0005706900000000, 0.0017976400000000, 0.0003951900000000 ] - [ -0.0168794300000000, -0.3273745600000000, 0.0267490500000000 ] - [ -0.0004371600000000, -0.0017113400000000, 0.0005393300000000 ] - [ 0.0003884200000000, 0.0010875000000000, 0.0001887400000000 ] - [ 0.0004015800000000, 0.0006267000000000, 0.0001095000000000 ] - [ -0.0034172600000000, -0.0027088300000000, -0.0038659200000000 ] - [ 0.0008590000000000, -0.0010389600000000, 0.0010547900000000 ] - [ 0.0003576600000000, 0.0010179100000000, 0.0010541100000000 ] - [ -0.0001880500000000, 0.0017374100000000, -0.0013083800000000 ] - [ 0.0011591500000000, 0.0022555700000000, -0.0005496400000000 ] - [ 0.0002748500000000, 0.0005145400000000, -0.0002374100000000 ] - [ 0.0006297700000000, 0.0003590100000000, 0.0007316800000000 ] - [ -0.0008825900000000, -0.0001205700000000, -0.0018395000000000 ] - [ -0.0002699900000000, 0.0013213600000000, -0.0006404600000000 ] - [ -0.0002286100000000, 0.0011701700000000, 0.0001550400000000 ] - [ -0.0005467600000000, 0.0014726600000000, 0.0006017800000000 ] - [ -0.0009338700000000, 0.0012501400000000, 0.0014931400000000 ] - [ 0.0005538300000000, 0.0019286100000000, 0.0003533800000000 ] - [ 0.0001497500000000, 0.0012964700000000, 0.0002743700000000 ] - [ -0.0005917100000000, 0.0024919300000000, -0.0010548700000000 ] - [ -0.0002467200000000, 0.0022337300000000, -0.0000431600000000 ] - [ -0.0006144500000000, 0.0018050400000000, -0.0012851200000000 ] - [ -0.0001921000000000, 0.0015121500000000, 0.0017109800000000 ] - [ 0.0018350300000000, -0.0029734100000000, -0.0037966900000000 ] - [ -0.0003211500000000, -0.0022843100000000, 0.0013522100000000 ] - [ 0.0000046200000000, 0.0013925800000000, 0.0003262100000000 ] - [ -0.0000467500000000, 0.0009221400000000, 0.0002835600000000 ] - [ 0.0010093200000000, -0.0042006700000000, -0.0000568000000000 ] - [ 0.0004145200000000, -0.0024013200000000, 0.0000866500000000 ] - [ 0.0003744000000000, 0.0022295200000000, 0.0001476200000000 ] - [ 0.0003895600000000, 0.0020239700000000, -0.0001269800000000 ] - [ 0.0001092500000000, 0.0011312800000000, -0.0009281500000000 ] - [ -0.0002884700000000, 0.0016225500000000, 0.0013214900000000 ] - [ 0.0067497000000000, 0.0045028500000000, -0.0001088000000000 ] - [ -0.0000970300000000, -0.0008939800000000, 0.0002008100000000 ] - [ -0.0003744400000000, 0.0025078400000000, -0.0018446900000000 ] - [ 0.0000822600000000, 0.0014580800000000, 0.0002770200000000 ] - [ 0.0034005400000000, -0.0008037100000000, 0.0059342700000000 ] - [ -0.0004137000000000, -0.0016614000000000, -0.0013151200000000 ] - [ -0.0010951300000000, 0.0075080400000000, 0.0059417600000000 ] - [ -0.0002752600000000, -0.0005703500000000, 0.0000150300000000 ] - [ 0.0114850300000000, 0.0169201500000000, 0.0061158500000000 ] - [ -0.0004260700000000, -0.0020508700000000, -0.0004754000000000 ] - [ 0.0002936900000000, -0.0018424400000000, -0.0030608900000000 ] - [ 0.0012488200000000, -0.0039633500000000, 0.0039687000000000 ] - [ -0.0013163400000000, -0.0029009300000000, 0.0003867100000000 ] - [ -0.0000711200000000, -0.0014319800000000, -0.0005986800000000 ] - [ 0.0002402600000000, -0.0041557700000000, 0.0019175900000000 ] - [ -0.0000356800000000, -0.0032867500000000, -0.0013586700000000 ] - [ -0.0173507100000000, -0.0144035400000000, -0.0183012300000000 ] - [ 0.0003217000000000, 0.0023328600000000, 0.0006765400000000 ] - [ -0.0013167000000000, -0.0049330600000000, -0.0071839500000000 ] - [ -0.0001025200000000, -0.0003672000000000, 0.0010041500000000 ] - [ 0.0004032800000000, -0.0031810200000000, -0.0002598700000000 ] - [ 0.0000077900000000, -0.0019171100000000, -0.0004162600000000 ] - [ -0.0001426500000000, -0.0024852300000000, 0.0013672700000000 ] - [ 0.0004001800000000, -0.0017370200000000, -0.0021525600000000 ] - [ 0.0042773600000000, -0.0002589600000000, -0.0025050900000000 ] - [ 0.0002078000000000, 0.0009747600000000, 0.0004993500000000 ]- atom: 9 displacement: [ -0.0049439770564842, 0.0000000000000000, 0.0086923581877968 ] forces: - [ 0.0015282000000000, -0.0003584600000000, -0.0005987900000000 ] - [ -0.0000581600000000, -0.0000367800000000, 0.0000253900000000 ] - [ -0.0001853600000000, 0.0001116400000000, -0.0002272000000000 ] - [ -0.0001817100000000, 0.0001294800000000, -0.0001916100000000 ] - [ 0.0001834600000000, -0.0008872800000000, -0.0003509900000000 ] - [ 0.0001777700000000, -0.0009170500000000, -0.0003411700000000 ] - [ -0.0006465900000000, 0.0010824100000000, -0.0008368400000000 ] - [ 0.0001744200000000, 0.0008245800000000, -0.0001448700000000 ] - [ 0.0278248000000000, 0.0324396000000000, -0.0523496300000000 ] - [ -0.0001099200000000, 0.0001988100000000, 0.0003806600000000 ] - [ -0.0000768000000000, -0.0003427700000000, 0.0002044700000000 ] - [ -0.0000829500000000, -0.0003162100000000, 0.0002008400000000 ] - [ 0.0007913400000000, -0.0001684400000000, 0.0002768800000000 ] - [ 0.0007349700000000, -0.0001707100000000, 0.0005510000000000 ] - [ 0.0007071900000000, -0.0000127700000000, 0.0002399900000000 ] - [ 0.0007197500000000, 0.0001267300000000, 0.0004112900000000 ] - [ -0.0005235900000000, -0.0364587700000000, 0.0013243600000000 ] - [ -0.0001765000000000, 0.0000716600000000, 0.0000897000000000 ] - [ -0.0000604400000000, -0.0001105200000000, -0.0002841300000000 ] - [ -0.0000704900000000, -0.0000898000000000, -0.0002068100000000 ] - [ -0.0001894600000000, -0.0002196400000000, -0.0002310400000000 ] - [ -0.0002066900000000, -0.0002165200000000, -0.0002047600000000 ] - [ -0.0010963600000000, 0.0001674200000000, -0.0005629100000000 ] - [ 0.0001144100000000, 0.0002384900000000, 0.0002726600000000 ] - [ 0.0005538400000000, -0.0007412000000000, 0.0001320900000000 ] - [ 0.0005139000000000, -0.0001238500000000, -0.0004311100000000 ] - [ 0.0001726600000000, 0.0005316100000000, -0.0003375000000000 ] - [ 0.0001798800000000, 0.0006090900000000, -0.0003382500000000 ] - [ -0.0001290900000000, -0.0000837300000000, 0.0002302800000000 ] - [ -0.0001259200000000, -0.0000311800000000, 0.0002322200000000 ] - [ -0.0009542500000000, 0.0008616800000000, 0.0014385900000000 ] - [ -0.0007385000000000, -0.0004271000000000, 0.0015352200000000 ] - [ 0.0007442100000000, -0.0004537700000000, 0.0007186400000000 ] - [ 0.0007359800000000, -0.0003267600000000, 0.0005648500000000 ] - [ 0.0008144400000000, 0.0000104700000000, 0.0004376300000000 ] - [ 0.0007656100000000, 0.0002111300000000, 0.0004425200000000 ] - [ -0.0001189800000000, 0.0000073400000000, -0.0001662400000000 ] - [ -0.0001116400000000, 0.0000042500000000, -0.0001197400000000 ] - [ -0.0012083400000000, -0.0030660000000000, 0.0017562700000000 ] - [ -0.0005056700000000, 0.0002222100000000, 0.0006312600000000 ] - [ 0.0005264000000000, -0.0012511600000000, -0.0001639000000000 ] - [ -0.0009242700000000, 0.0016852100000000, 0.0012822300000000 ] - [ -0.0009744400000000, 0.0002526400000000, 0.0014144700000000 ] - [ -0.0003724500000000, 0.0005203600000000, 0.0003167900000000 ] - [ -0.0003417100000000, 0.0005002100000000, 0.0004519000000000 ] - [ -0.0003466000000000, 0.0004957900000000, 0.0003781100000000 ] - [ -0.0237293300000000, 0.0002115800000000, 0.0421367400000000 ] - [ -0.0003968800000000, -0.0004282300000000, -0.0000391600000000 ] - [ 0.0003808400000000, -0.0004194800000000, 0.0000871900000000 ] - [ 0.0003755000000000, -0.0005127300000000, 0.0000457400000000 ] - [ -0.0004116400000000, 0.0005240100000000, -0.0000421900000000 ] - [ -0.0000155900000000, -0.0000338700000000, -0.0004093100000000 ] - [ 0.0005646600000000, 0.0000072800000000, 0.0002933600000000 ] - [ 0.0001201200000000, 0.0005678400000000, -0.0001579600000000 ] - [ 0.0004858100000000, 0.0000752000000000, -0.0000694100000000 ] - [ 0.0001235100000000, -0.0003299200000000, 0.0000019800000000 ] - [ 0.0001343200000000, 0.0000351200000000, 0.0001906200000000 ] - [ -0.0001829100000000, 0.0002992300000000, -0.0007127000000000 ] - [ -0.0001358500000000, -0.0001801300000000, -0.0004424900000000 ] - [ -0.0001438900000000, -0.0001884300000000, -0.0002104800000000 ] - [ -0.0004476600000000, -0.0000910800000000, 0.0006812400000000 ] - [ -0.0005850600000000, -0.0000195700000000, 0.0008256100000000 ] - [ -0.0000160800000000, -0.0001197100000000, -0.0000830700000000 ] - [ -0.0001192400000000, -0.0002570100000000, -0.0001083500000000 ] - [ -0.0002435700000000, 0.0007573800000000, -0.0002452700000000 ] - [ -0.0001111700000000, 0.0006566000000000, -0.0001456400000000 ] - [ -0.0005053700000000, 0.0004638700000000, 0.0006105700000000 ] - [ -0.0003675700000000, 0.0002824200000000, 0.0005710400000000 ] - [ 0.0006636300000000, 0.0009329800000000, -0.0006996000000000 ] - [ 0.0003286500000000, -0.0004173600000000, -0.0009508700000000 ] - [ -0.0002765600000000, -0.0001115700000000, 0.0004093800000000 ] - [ -0.0002761200000000, -0.0001476100000000, 0.0003718800000000 ] - [ 0.0015953200000000, -0.0011344800000000, 0.0011753900000000 ] - [ 0.0001684700000000, -0.0008354000000000, -0.0005024700000000 ] - [ 0.0003655000000000, 0.0008633100000000, 0.0000659300000000 ] - [ 0.0003857800000000, 0.0008479300000000, 0.0000355900000000 ] - [ 0.0000584500000000, 0.0006637000000000, 0.0000709600000000 ] - [ 0.0001283900000000, 0.0003618500000000, 0.0000837000000000 ] - [ 0.0001048700000000, -0.0004276900000000, 0.0000879100000000 ] - [ 0.0001093000000000, -0.0004233400000000, -0.0001931900000000 ] - [ -0.0001323600000000, 0.0006934900000000, -0.0004657200000000 ] - [ -0.0001310900000000, 0.0005474500000000, -0.0004087800000000 ] - [ 0.0003756300000000, -0.0008228300000000, 0.0005901000000000 ] - [ -0.0003815000000000, -0.0002185000000000, -0.0007767300000000 ] - [ -0.0004036800000000, 0.0017533600000000, 0.0019629000000000 ] - [ -0.0004229300000000, -0.0000868000000000, 0.0003948600000000 ] - [ -0.0013101600000000, 0.0011210800000000, 0.0059770600000000 ] - [ -0.0000077100000000, -0.0007530300000000, -0.0009663300000000 ] - [ -0.0003767200000000, 0.0008855000000000, -0.0017378200000000 ] - [ 0.0000325100000000, -0.0012391100000000, 0.0004310100000000 ] - [ -0.0003849300000000, 0.0005071900000000, 0.0000030600000000 ] - [ -0.0000330200000000, 0.0007797700000000, -0.0002526800000000 ] - [ 0.0000419300000000, -0.0014806100000000, -0.0001090600000000 ] - [ -0.0001828500000000, -0.0011134900000000, -0.0001760300000000 ] - [ -0.0028091400000000, 0.0005274200000000, -0.0013586800000000 ] - [ 0.0001327100000000, 0.0010457300000000, 0.0006755500000000 ] - [ -0.0001384500000000, 0.0020179400000000, -0.0022678300000000 ] - [ 0.0001065900000000, -0.0000847000000000, 0.0001087100000000 ] - [ 0.0001972100000000, -0.0007299600000000, -0.0002794700000000 ] - [ 0.0000471000000000, -0.0002479300000000, -0.0003058300000000 ] - [ 0.0000460900000000, -0.0002349600000000, -0.0003581300000000 ] - [ 0.0001611500000000, -0.0000662500000000, -0.0005757200000000 ] - [ -0.0002176400000000, 0.0016911700000000, -0.0012193600000000 ] - [ 0.0002162900000000, -0.0004569800000000, 0.0005294300000000 ]- atom: 9 displacement: [ 0.0049439770564842, 0.0000000000000000, -0.0086923581877968 ] forces: - [ -0.0018772400000000, -0.0000013300000000, 0.0002198100000000 ] - [ -0.0003323800000000, -0.0003063100000000, -0.0004501400000000 ] - [ -0.0002022600000000, 0.0002314300000000, -0.0001977700000000 ] - [ -0.0002061200000000, 0.0002141900000000, -0.0002329400000000 ] - [ 0.0001758900000000, -0.0005852200000000, -0.0003335800000000 ] - [ 0.0001816800000000, -0.0005548200000000, -0.0003434600000000 ] - [ 0.0009944300000000, 0.0003883000000000, 0.0001539600000000 ] - [ 0.0001843800000000, 0.0006494100000000, -0.0005392700000000 ] - [ -0.0277446100000000, -0.0295422600000000, 0.0521910300000000 ] - [ -0.0000987300000000, 0.0000761500000000, 0.0000526500000000 ] - [ -0.0001320900000000, 0.0000652500000000, 0.0002287700000000 ] - [ -0.0001261100000000, 0.0000374500000000, 0.0002320900000000 ] - [ 0.0006700200000000, -0.0002340000000000, 0.0006163500000000 ] - [ 0.0007282700000000, -0.0002281000000000, 0.0003399300000000 ] - [ 0.0007551700000000, 0.0004154100000000, 0.0006534700000000 ] - [ 0.0007424200000000, 0.0002795300000000, 0.0004867900000000 ] - [ 0.0005108900000000, 0.0369793900000000, -0.0019154900000000 ] - [ 0.0000002100000000, 0.0000319100000000, -0.0004704300000000 ] - [ -0.0001149600000000, 0.0000065100000000, -0.0001004700000000 ] - [ -0.0001056100000000, -0.0000133300000000, -0.0001753700000000 ] - [ -0.0001992400000000, -0.0001243500000000, -0.0001945900000000 ] - [ -0.0001811200000000, -0.0001273500000000, -0.0002197200000000 ] - [ 0.0006970300000000, 0.0001746200000000, 0.0001263900000000 ] - [ -0.0005066900000000, 0.0001041100000000, -0.0007010200000000 ] - [ -0.0001907500000000, -0.0007295600000000, -0.0008180200000000 ] - [ -0.0001522900000000, -0.0013404900000000, -0.0002459600000000 ] - [ 0.0001866400000000, 0.0009402200000000, -0.0003470800000000 ] - [ 0.0001794800000000, 0.0008627200000000, -0.0003465300000000 ] - [ -0.0000800000000000, 0.0003589600000000, 0.0002027000000000 ] - [ -0.0000832000000000, 0.0003080000000000, 0.0002009600000000 ] - [ 0.0007321000000000, -0.0011278300000000, -0.0009861300000000 ] - [ 0.0005412300000000, 0.0001528400000000, -0.0011207100000000 ] - [ 0.0007178900000000, 0.0000529300000000, 0.0001757200000000 ] - [ 0.0007265800000000, -0.0000780900000000, 0.0003306600000000 ] - [ 0.0006475400000000, 0.0003894600000000, 0.0004509600000000 ] - [ 0.0006955300000000, 0.0001936100000000, 0.0004553200000000 ] - [ -0.0000563000000000, 0.0000961000000000, -0.0002171300000000 ] - [ -0.0000641400000000, 0.0000987300000000, -0.0002629300000000 ] - [ 0.0010312100000000, 0.0029189500000000, -0.0021336800000000 ] - [ 0.0003371700000000, -0.0003279900000000, -0.0010241300000000 ] - [ -0.0008133700000000, 0.0021483900000000, -0.0001271700000000 ] - [ 0.0006120900000000, -0.0008088300000000, -0.0015069900000000 ] - [ 0.0000829500000000, 0.0001337000000000, -0.0001497800000000 ] - [ -0.0005142500000000, -0.0001471700000000, 0.0009415100000000 ] - [ -0.0002800600000000, 0.0001399500000000, 0.0003487400000000 ] - [ -0.0002747800000000, 0.0001448000000000, 0.0004224300000000 ] - [ 0.0226504000000000, -0.0038283800000000, -0.0406484100000000 ] - [ -0.0002258200000000, -0.0002121700000000, 0.0008369800000000 ] - [ 0.0003804900000000, -0.0008956700000000, 0.0000285700000000 ] - [ 0.0003854800000000, -0.0008049500000000, 0.0000692200000000 ] - [ 0.0011539200000000, 0.0007894200000000, 0.0001293300000000 ] - [ 0.0007755400000000, 0.0013461600000000, 0.0005278200000000 ] - [ -0.0002980800000000, 0.0007934000000000, -0.0001378500000000 ] - [ 0.0001509800000000, 0.0002350300000000, 0.0002915200000000 ] - [ -0.0002129000000000, -0.0008651300000000, 0.0002189800000000 ] - [ 0.0001387200000000, -0.0004782500000000, 0.0001479200000000 ] - [ -0.0003987400000000, 0.0007693400000000, -0.0008632100000000 ] - [ -0.0000857700000000, 0.0004990200000000, 0.0000331100000000 ] - [ -0.0001399300000000, -0.0006243700000000, -0.0002454700000000 ] - [ -0.0001326900000000, -0.0006166500000000, -0.0004725000000000 ] - [ -0.0004424400000000, -0.0002974400000000, 0.0005737300000000 ] - [ -0.0003052600000000, -0.0003726500000000, 0.0004329400000000 ] - [ -0.0002858400000000, -0.0007985700000000, -0.0002036000000000 ] - [ -0.0001854300000000, -0.0006651300000000, -0.0001780500000000 ] - [ -0.0000608400000000, 0.0001645600000000, -0.0000408400000000 ] - [ -0.0001949400000000, 0.0002669200000000, -0.0001414700000000 ] - [ -0.0003815800000000, -0.0000741400000000, 0.0006479000000000 ] - [ -0.0005226200000000, 0.0001057100000000, 0.0006817200000000 ] - [ -0.0012786900000000, -0.0002802900000000, 0.0014962100000000 ] - [ -0.0009615400000000, 0.0010667100000000, 0.0017663500000000 ] - [ -0.0003453500000000, -0.0005274000000000, 0.0003914300000000 ] - [ -0.0003457000000000, -0.0004900000000000, 0.0004281100000000 ] - [ -0.0008150900000000, -0.0001839500000000, -0.0010524300000000 ] - [ 0.0005956600000000, -0.0004814900000000, 0.0006184200000000 ] - [ 0.0003972200000000, 0.0004538600000000, 0.0000512200000000 ] - [ 0.0003757000000000, 0.0004695000000000, 0.0000789700000000 ] - [ 0.0002036000000000, 0.0001446600000000, 0.0000820800000000 ] - [ 0.0001328000000000, 0.0004449800000000, 0.0000660700000000 ] - [ 0.0001344400000000, -0.0003899400000000, 0.0000636500000000 ] - [ 0.0001540900000000, -0.0003784600000000, 0.0003437800000000 ] - [ -0.0001420800000000, 0.0001137000000000, -0.0002158400000000 ] - [ -0.0001444800000000, 0.0002592200000000, -0.0002746600000000 ] - [ -0.0006537700000000, 0.0000111400000000, -0.0012853100000000 ] - [ 0.0001065800000000, -0.0005841100000000, 0.0000969900000000 ] - [ -0.0004794600000000, -0.0021468000000000, -0.0007237800000000 ] - [ -0.0004663500000000, -0.0002960800000000, 0.0008608500000000 ] - [ 0.0010162000000000, -0.0020285200000000, -0.0062411600000000 ] - [ -0.0002965000000000, -0.0001638400000000, 0.0006840600000000 ] - [ 0.0002093400000000, -0.0028252500000000, 0.0012820600000000 ] - [ -0.0002243400000000, -0.0006815500000000, -0.0008586300000000 ] - [ 0.0002272400000000, 0.0014493400000000, -0.0004224500000000 ] - [ -0.0001141700000000, 0.0011889500000000, -0.0001754300000000 ] - [ -0.0001878700000000, -0.0004856900000000, -0.0003236500000000 ] - [ 0.0000379300000000, -0.0008543900000000, -0.0002522600000000 ] - [ 0.0026509700000000, 0.0014377400000000, 0.0009645500000000 ] - [ -0.0002838700000000, 0.0009106700000000, -0.0011067200000000 ] - [ 0.0003250900000000, -0.0017808900000000, 0.0014727900000000 ] - [ 0.0000692500000000, 0.0003167600000000, -0.0008579000000000 ] - [ -0.0000282000000000, 0.0004917000000000, -0.0004775900000000 ] - [ 0.0001178000000000, 0.0000208400000000, -0.0004528100000000 ] - [ 0.0001189500000000, 0.0004654400000000, -0.0004033100000000 ] - [ 0.0000028200000000, 0.0002939100000000, -0.0001796700000000 ] - [ 0.0003835500000000, -0.0019283200000000, 0.0004780400000000 ] - [ -0.0000489100000000, 0.0002157900000000, -0.0012801500000000 ]- atom: 13 displacement: [ 0.0099998839938813, 0.0000000000000000, -0.0000481675089282 ] forces: - [ 0.0015126400000000, -0.0013834900000000, -0.0006415600000000 ] - [ -0.0000717300000000, -0.0001603400000000, -0.0000358800000000 ] - [ -0.0001149000000000, 0.0000461900000000, -0.0003821900000000 ] - [ -0.0001811300000000, 0.0001358700000000, -0.0001545000000000 ] - [ 0.0001626300000000, -0.0006068000000000, -0.0003783400000000 ] - [ 0.0002272500000000, -0.0006694800000000, -0.0003174400000000 ] - [ 0.0003311400000000, -0.0002182700000000, -0.0008581500000000 ] - [ 0.0002125100000000, 0.0008098300000000, -0.0003631600000000 ] - [ -0.0002694300000000, 0.0003860400000000, 0.0001950000000000 ] - [ -0.0001131200000000, 0.0002222000000000, 0.0002142900000000 ] - [ -0.0000866200000000, -0.0002389500000000, 0.0002136700000000 ] - [ -0.0000701100000000, -0.0002267800000000, 0.0002093000000000 ] - [ -0.0398230200000000, -0.0041095200000000, -0.0066076800000000 ] - [ 0.0006091500000000, -0.0003053300000000, 0.0004866600000000 ] - [ 0.0006608000000000, 0.0014166600000000, 0.0014615200000000 ] - [ 0.0006563200000000, 0.0001700100000000, 0.0002810100000000 ] - [ 0.0012185700000000, 0.0009012000000000, 0.0001363400000000 ] - [ 0.0003065500000000, 0.0001844400000000, -0.0004976700000000 ] - [ -0.0001415700000000, -0.0001636700000000, -0.0004320000000000 ] - [ -0.0001388900000000, -0.0000149800000000, -0.0001015100000000 ] - [ -0.0001866000000000, -0.0002013400000000, -0.0002024800000000 ] - [ -0.0001964700000000, -0.0001711200000000, -0.0002187800000000 ] - [ -0.0000527900000000, 0.0001580100000000, -0.0001225200000000 ] - [ -0.0001391200000000, 0.0001817600000000, -0.0002248900000000 ] - [ 0.0001589100000000, -0.0008714800000000, -0.0002943900000000 ] - [ 0.0000503300000000, -0.0012605800000000, -0.0001311000000000 ] - [ 0.0001217500000000, 0.0006469100000000, -0.0003162700000000 ] - [ 0.0001768500000000, 0.0007083400000000, -0.0003418500000000 ] - [ -0.0001244100000000, -0.0000637400000000, 0.0002190600000000 ] - [ -0.0001019100000000, 0.0001642100000000, 0.0002226600000000 ] - [ -0.0001551300000000, 0.0002680500000000, 0.0002289300000000 ] - [ -0.0001898200000000, 0.0002704700000000, 0.0002630700000000 ] - [ 0.0007316800000000, -0.0002484600000000, 0.0004873400000000 ] - [ 0.0007269800000000, -0.0002126200000000, 0.0004550400000000 ] - [ 0.0007150900000000, 0.0001473300000000, 0.0004259700000000 ] - [ 0.0007144000000000, 0.0001209700000000, 0.0003306400000000 ] - [ -0.0001135400000000, 0.0000263300000000, -0.0001370200000000 ] - [ -0.0000913500000000, 0.0000473100000000, -0.0001894100000000 ] - [ -0.0001055400000000, -0.0000482900000000, -0.0001370200000000 ] - [ -0.0001445400000000, -0.0000568200000000, -0.0001620100000000 ] - [ 0.0027674600000000, 0.0008214200000000, 0.0041661300000000 ] - [ -0.0011188400000000, 0.0004807200000000, -0.0012531800000000 ] - [ -0.0016406400000000, -0.0011693800000000, -0.0022818000000000 ] - [ -0.0006557300000000, 0.0004619800000000, 0.0005437300000000 ] - [ -0.0003020600000000, 0.0004488900000000, 0.0006137300000000 ] - [ -0.0002056200000000, 0.0004528000000000, 0.0003030400000000 ] - [ -0.0017836400000000, -0.0008325400000000, 0.0003168100000000 ] - [ -0.0005253900000000, -0.0004464200000000, 0.0005353200000000 ] - [ 0.0002479200000000, -0.0004243900000000, 0.0001349800000000 ] - [ 0.0003985200000000, -0.0006256700000000, 0.0000110900000000 ] - [ 0.0002155800000000, 0.0017506200000000, 0.0007130100000000 ] - [ 0.0008498700000000, 0.0007765300000000, -0.0005034000000000 ] - [ 0.0004497600000000, -0.0010162700000000, -0.0009294300000000 ] - [ -0.0008744400000000, 0.0003968800000000, 0.0006645600000000 ] - [ -0.0010240200000000, 0.0022458200000000, -0.0003664600000000 ] - [ 0.0001779700000000, -0.0002973100000000, -0.0001150200000000 ] - [ 0.0197185700000000, 0.0136795100000000, -0.0047203700000000 ] - [ -0.0004476900000000, 0.0005549300000000, -0.0005868900000000 ] - [ 0.0011308900000000, -0.0014859800000000, -0.0007232300000000 ] - [ -0.0002884000000000, -0.0009758200000000, -0.0013239600000000 ] - [ 0.0140397100000000, 0.0013456500000000, -0.0030902700000000 ] - [ -0.0005439800000000, -0.0000004100000000, 0.0005297400000000 ] - [ 0.0004386700000000, 0.0001587300000000, 0.0002230500000000 ] - [ -0.0002267100000000, -0.0004514800000000, -0.0002595500000000 ] - [ -0.0001633000000000, 0.0005307000000000, -0.0001226200000000 ] - [ -0.0001615100000000, 0.0005439600000000, -0.0001675700000000 ] - [ -0.0004154700000000, 0.0002963600000000, 0.0006130900000000 ] - [ -0.0004295700000000, 0.0003029400000000, 0.0006573500000000 ] - [ -0.0003389500000000, 0.0001548800000000, 0.0003075900000000 ] - [ -0.0002245100000000, 0.0001106100000000, 0.0003871600000000 ] - [ -0.0002938700000000, -0.0001682000000000, 0.0003699500000000 ] - [ -0.0003121800000000, -0.0003308800000000, 0.0003871900000000 ] - [ 0.0002764100000000, 0.0001173600000000, 0.0001835700000000 ] - [ 0.0003516400000000, -0.0006412400000000, 0.0001284300000000 ] - [ 0.0003808800000000, 0.0006349800000000, 0.0000385300000000 ] - [ 0.0004103000000000, 0.0005802100000000, 0.0001000800000000 ] - [ 0.0001510800000000, 0.0004234800000000, 0.0000664200000000 ] - [ 0.0001516800000000, 0.0004470700000000, 0.0000756100000000 ] - [ 0.0001306900000000, -0.0002872300000000, -0.0000048400000000 ] - [ 0.0001570500000000, -0.0003631400000000, 0.0000260700000000 ] - [ -0.0001509800000000, 0.0004651300000000, -0.0003424700000000 ] - [ -0.0001600800000000, 0.0004039500000000, -0.0003465500000000 ] - [ -0.0002360900000000, -0.0000366300000000, -0.0003711500000000 ] - [ -0.0001792700000000, -0.0002718300000000, -0.0003806100000000 ] - [ -0.0005025200000000, -0.0001143600000000, 0.0006107100000000 ] - [ -0.0004639000000000, -0.0001720700000000, 0.0006186300000000 ] - [ -0.0002020900000000, -0.0005227300000000, -0.0001678200000000 ] - [ -0.0001533600000000, -0.0004739500000000, -0.0001504000000000 ] - [ 0.0020451900000000, -0.0070914200000000, 0.0147809000000000 ] - [ 0.0017435700000000, -0.0024636200000000, 0.0004843700000000 ] - [ -0.0013029300000000, -0.0075490600000000, 0.0047345000000000 ] - [ 0.0002462000000000, 0.0006519800000000, 0.0003131400000000 ] - [ -0.0001001400000000, -0.0010836300000000, -0.0002211900000000 ] - [ -0.0000789900000000, -0.0010896000000000, -0.0001787700000000 ] - [ 0.0001169100000000, 0.0007867300000000, -0.0000442900000000 ] - [ -0.0000247500000000, 0.0009008700000000, -0.0001251600000000 ] - [ 0.0016968100000000, 0.0010376200000000, -0.0031293100000000 ] - [ -0.0010962900000000, 0.0007117000000000, -0.0010997500000000 ] - [ 0.0014981800000000, 0.0022814700000000, -0.0012646500000000 ] - [ -0.0000422800000000, -0.0000486300000000, -0.0002775900000000 ] - [ 0.0000747700000000, 0.0000311500000000, -0.0004025000000000 ] - [ 0.0000876400000000, 0.0000574800000000, -0.0003780300000000 ] - [ -0.0000277500000000, -0.0002502600000000, -0.0004885900000000 ] - [ 0.0000622500000000, -0.0001410600000000, -0.0004037200000000 ]- atom: 13 displacement: [ -0.0099998839938813, 0.0000000000000000, 0.0000481675089282 ] forces: - [ -0.0019184200000000, 0.0010224600000000, 0.0001902300000000 ] - [ -0.0003264400000000, -0.0001824500000000, -0.0004060300000000 ] - [ -0.0002835100000000, 0.0002998300000000, -0.0000522200000000 ] - [ -0.0002178600000000, 0.0002075900000000, -0.0002816100000000 ] - [ 0.0001974200000000, -0.0008600400000000, -0.0003043800000000 ] - [ 0.0001329300000000, -0.0007942200000000, -0.0003656900000000 ] - [ 0.0000471800000000, 0.0017231900000000, 0.0001912900000000 ] - [ 0.0001474900000000, 0.0006561200000000, -0.0003208900000000 ] - [ 0.0000562000000000, -0.0001081800000000, 0.0002396700000000 ] - [ -0.0000986500000000, 0.0000714300000000, 0.0002167100000000 ] - [ -0.0001256900000000, -0.0000567100000000, 0.0002181100000000 ] - [ -0.0001417100000000, -0.0000682700000000, 0.0002223900000000 ] - [ 0.0412562400000000, 0.0022478200000000, 0.0093962100000000 ] - [ 0.0008516900000000, -0.0000895400000000, 0.0003995100000000 ] - [ 0.0008012300000000, -0.0010157100000000, -0.0005677700000000 ] - [ 0.0008081100000000, 0.0002279300000000, 0.0006091200000000 ] - [ -0.0014101400000000, -0.0008066800000000, -0.0005279700000000 ] - [ -0.0004926800000000, -0.0000796900000000, 0.0001222000000000 ] - [ -0.0000401100000000, 0.0000588400000000, 0.0000576200000000 ] - [ -0.0000459500000000, -0.0000892100000000, -0.0002711400000000 ] - [ -0.0002138600000000, -0.0001437900000000, -0.0002362600000000 ] - [ -0.0002021100000000, -0.0001734200000000, -0.0002173700000000 ] - [ -0.0003509400000000, 0.0001915400000000, -0.0003156200000000 ] - [ -0.0002598500000000, 0.0001624300000000, -0.0002120800000000 ] - [ 0.0002019600000000, -0.0005900600000000, -0.0003894100000000 ] - [ 0.0003111900000000, -0.0002044700000000, -0.0005496000000000 ] - [ 0.0002390600000000, 0.0008192800000000, -0.0003672100000000 ] - [ 0.0001836100000000, 0.0007564900000000, -0.0003410800000000 ] - [ -0.0000889400000000, 0.0003542000000000, 0.0002130900000000 ] - [ -0.0001103200000000, 0.0001280700000000, 0.0002094300000000 ] - [ -0.0000602400000000, -0.0005568500000000, 0.0002033400000000 ] - [ -0.0000205300000000, -0.0005684000000000, 0.0001684500000000 ] - [ 0.0007287100000000, -0.0001486100000000, 0.0004024300000000 ] - [ 0.0007335100000000, -0.0001833100000000, 0.0004335200000000 ] - [ 0.0007460000000000, 0.0002506400000000, 0.0004638700000000 ] - [ 0.0007462400000000, 0.0002761900000000, 0.0005590900000000 ] - [ -0.0000715800000000, 0.0000781600000000, -0.0002349800000000 ] - [ -0.0000930800000000, 0.0000569400000000, -0.0001833400000000 ] - [ -0.0000808300000000, -0.0000558400000000, -0.0002324200000000 ] - [ -0.0000396700000000, -0.0000476100000000, -0.0002118200000000 ] - [ -0.0029779600000000, 0.0000774900000000, -0.0044191000000000 ] - [ 0.0008198500000000, 0.0004126900000000, 0.0010074400000000 ] - [ 0.0008193800000000, 0.0015858800000000, 0.0035305200000000 ] - [ -0.0002427400000000, -0.0000708400000000, 0.0007164100000000 ] - [ -0.0003151500000000, 0.0002211100000000, 0.0001723100000000 ] - [ -0.0004067500000000, 0.0002171300000000, 0.0004842400000000 ] - [ 0.0011776800000000, 0.0001865600000000, 0.0004735600000000 ] - [ -0.0000888200000000, -0.0002249900000000, 0.0002520800000000 ] - [ 0.0005393800000000, -0.0008661600000000, 0.0000002100000000 ] - [ 0.0003871800000000, -0.0006611500000000, 0.0001253100000000 ] - [ 0.0005868500000000, -0.0004651900000000, -0.0005794500000000 ] - [ -0.0000708300000000, 0.0005091200000000, 0.0006420400000000 ] - [ -0.0001817100000000, 0.0018519000000000, 0.0011027500000000 ] - [ 0.0011548200000000, 0.0003937000000000, -0.0005109800000000 ] - [ 0.0012708400000000, -0.0030703900000000, 0.0005130400000000 ] - [ 0.0001116600000000, -0.0004924000000000, 0.0002487700000000 ] - [ -0.0198739200000000, -0.0114800400000000, 0.0020319500000000 ] - [ 0.0001490500000000, 0.0002128300000000, -0.0000835800000000 ] - [ -0.0014636600000000, 0.0007231800000000, 0.0000459600000000 ] - [ -0.0000126000000000, 0.0002071000000000, 0.0006392300000000 ] - [ -0.0149531900000000, -0.0017458500000000, 0.0043180400000000 ] - [ -0.0003454600000000, -0.0003988300000000, 0.0007229400000000 ] - [ -0.0007450100000000, -0.0010392200000000, -0.0004682500000000 ] - [ -0.0000677000000000, -0.0004430100000000, -0.0000048600000000 ] - [ -0.0001310600000000, 0.0003644300000000, -0.0001418100000000 ] - [ -0.0001330300000000, 0.0003530400000000, -0.0000964200000000 ] - [ -0.0004742100000000, 0.0000998400000000, 0.0006405200000000 ] - [ -0.0004606200000000, 0.0000941800000000, 0.0005983500000000 ] - [ -0.0002711900000000, 0.0005116200000000, 0.0004756500000000 ] - [ -0.0003899100000000, 0.0005618700000000, 0.0003982800000000 ] - [ -0.0003205300000000, -0.0004952500000000, 0.0004164800000000 ] - [ -0.0003013800000000, -0.0003383500000000, 0.0003974700000000 ] - [ 0.0005049300000000, -0.0014389000000000, -0.0000549100000000 ] - [ 0.0004349800000000, -0.0006474700000000, 0.0000098000000000 ] - [ 0.0004063100000000, 0.0006530800000000, 0.0000999600000000 ] - [ 0.0003755300000000, 0.0007088500000000, 0.0000350000000000 ] - [ 0.0001346800000000, 0.0003677900000000, 0.0000669500000000 ] - [ 0.0001352000000000, 0.0003440100000000, 0.0000580900000000 ] - [ 0.0001576100000000, -0.0005045100000000, 0.0001378600000000 ] - [ 0.0001288000000000, -0.0004287200000000, 0.0001087500000000 ] - [ -0.0001509200000000, 0.0003027000000000, -0.0003382600000000 ] - [ -0.0001411300000000, 0.0003643000000000, -0.0003317200000000 ] - [ -0.0000635300000000, -0.0007328800000000, -0.0003082900000000 ] - [ -0.0001211900000000, -0.0004989100000000, -0.0002974200000000 ] - [ -0.0003865800000000, -0.0002818600000000, 0.0006439800000000 ] - [ -0.0004248600000000, -0.0002259100000000, 0.0006358200000000 ] - [ -0.0000898600000000, -0.0003655000000000, -0.0000983900000000 ] - [ -0.0001418600000000, -0.0004233000000000, -0.0001123500000000 ] - [ -0.0024929500000000, 0.0051027500000000, -0.0151919500000000 ] - [ -0.0019027000000000, 0.0005348800000000, -0.0009460500000000 ] - [ 0.0013045500000000, 0.0094830700000000, -0.0052096700000000 ] - [ -0.0004142700000000, 0.0012811800000000, -0.0007445700000000 ] - [ -0.0000637000000000, -0.0008505900000000, -0.0002119200000000 ] - [ -0.0000853900000000, -0.0008466000000000, -0.0002563800000000 ] - [ -0.0002854500000000, 0.0011470400000000, -0.0003911200000000 ] - [ -0.0001397300000000, 0.0010367100000000, -0.0003112800000000 ] - [ -0.0015524900000000, -0.0007929700000000, 0.0024333300000000 ] - [ 0.0012512500000000, -0.0004674200000000, 0.0003608700000000 ] - [ -0.0013428300000000, -0.0024879100000000, 0.0004959100000000 ] - [ 0.0002104500000000, -0.0001966700000000, -0.0004898500000000 ] - [ 0.0000908300000000, 0.0002080100000000, -0.0003580100000000 ] - [ 0.0000787800000000, 0.0001819000000000, -0.0003831300000000 ] - [ 0.0001968600000000, 0.0000127900000000, -0.0002690600000000 ] - [ 0.0001037100000000, -0.0000970100000000, -0.0003585100000000 ]- atom: 13 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0020930700000000, 0.0001686300000000, 0.0013346300000000 ] - [ -0.0002944600000000, -0.0002175100000000, -0.0010701800000000 ] - [ -0.0002796700000000, 0.0002254500000000, 0.0003584600000000 ] - [ -0.0003745200000000, 0.0005884200000000, -0.0010816900000000 ] - [ 0.0002467000000000, -0.0008638400000000, -0.0001425600000000 ] - [ 0.0001506000000000, 0.0012602500000000, -0.0004656300000000 ] - [ 0.0004826700000000, 0.0049805300000000, -0.0020307900000000 ] - [ 0.0000629300000000, 0.0001773500000000, -0.0004835900000000 ] - [ -0.0000527000000000, 0.0011224400000000, 0.0002858800000000 ] - [ -0.0000947800000000, 0.0004633400000000, 0.0002546000000000 ] - [ -0.0001773400000000, 0.0005671100000000, 0.0002640900000000 ] - [ -0.0004150500000000, 0.0010316300000000, 0.0002883700000000 ] - [ -0.0019603500000000, -0.0935992100000000, 0.0687607900000000 ] - [ 0.0006139700000000, -0.0004591600000000, -0.0001120600000000 ] - [ 0.0007520100000000, -0.0014813000000000, -0.0006031700000000 ] - [ -0.0005144400000000, -0.0014691200000000, -0.0029165500000000 ] - [ 0.0004421100000000, -0.0007980200000000, 0.0019395800000000 ] - [ 0.0006542100000000, 0.0005173800000000, -0.0021964800000000 ] - [ -0.0008737900000000, 0.0003370100000000, 0.0022259800000000 ] - [ 0.0001322000000000, -0.0003326500000000, -0.0013127500000000 ] - [ -0.0001699600000000, 0.0001876300000000, -0.0001548600000000 ] - [ -0.0001860100000000, -0.0000421200000000, -0.0002504100000000 ] - [ -0.0006507000000000, 0.0005902100000000, -0.0006679500000000 ] - [ -0.0002326400000000, 0.0002422100000000, -0.0001188700000000 ] - [ 0.0001809700000000, 0.0000627700000000, -0.0005672500000000 ] - [ 0.0002089900000000, 0.0003839500000000, -0.0004242100000000 ] - [ 0.0002295500000000, 0.0016430200000000, -0.0003296700000000 ] - [ 0.0002384500000000, 0.0013038700000000, -0.0003505700000000 ] - [ 0.0003310700000000, 0.0025299800000000, 0.0001720600000000 ] - [ -0.0001155600000000, 0.0003183100000000, 0.0000670200000000 ] - [ -0.0004387200000000, 0.0013096000000000, 0.0000175300000000 ] - [ 0.0001951000000000, -0.0007695300000000, 0.0006048100000000 ] - [ 0.0006733700000000, 0.0005214200000000, -0.0000254500000000 ] - [ 0.0007084000000000, 0.0003840400000000, -0.0000456900000000 ] - [ 0.0008055400000000, 0.0008761000000000, 0.0007937800000000 ] - [ 0.0007803000000000, 0.0008739600000000, 0.0010834800000000 ] - [ 0.0001492600000000, 0.0003868700000000, -0.0006233500000000 ] - [ -0.0000390900000000, 0.0002305700000000, -0.0003049000000000 ] - [ -0.0003492900000000, 0.0002835900000000, 0.0001222000000000 ] - [ -0.0001332500000000, 0.0001066400000000, -0.0000499900000000 ] - [ 0.0063168400000000, 0.0004753400000000, 0.0065405700000000 ] - [ -0.0006749000000000, 0.0039661200000000, -0.0016253200000000 ] - [ 0.0037902800000000, 0.0091500400000000, -0.0014674400000000 ] - [ 0.0008271100000000, 0.0029066900000000, 0.0028546900000000 ] - [ 0.0000616300000000, 0.0000176000000000, -0.0013747800000000 ] - [ -0.0004043100000000, -0.0010065400000000, 0.0016867600000000 ] - [ -0.0004393100000000, -0.0001382500000000, -0.0009952200000000 ] - [ -0.0004337600000000, -0.0001129700000000, 0.0023202300000000 ] - [ 0.0004001600000000, -0.0017008400000000, -0.0008103000000000 ] - [ 0.0005378500000000, -0.0009170600000000, 0.0009701900000000 ] - [ 0.0015549000000000, 0.0001972900000000, -0.0029495000000000 ] - [ -0.0000694000000000, 0.0001800800000000, 0.0013970300000000 ] - [ -0.0013948700000000, 0.0097228600000000, 0.0081376100000000 ] - [ -0.0014259900000000, 0.0033929500000000, 0.0016419000000000 ] - [ 0.0071346700000000, 0.0010350900000000, -0.0059380700000000 ] - [ -0.0001299000000000, 0.0000431000000000, 0.0016899600000000 ] - [ 0.0092621300000000, 0.1049674500000000, -0.0861012600000000 ] - [ 0.0001550300000000, 0.0020534900000000, 0.0008208600000000 ] - [ 0.0061333900000000, -0.0048809300000000, 0.0021479700000000 ] - [ 0.0000463000000000, 0.0007758700000000, 0.0008818700000000 ] - [ 0.0050778600000000, -0.0179968300000000, 0.0148844600000000 ] - [ -0.0010135700000000, 0.0013959500000000, 0.0018818900000000 ] - [ 0.0002143400000000, -0.0068932900000000, -0.0047292800000000 ] - [ -0.0000941300000000, 0.0003182800000000, 0.0011216700000000 ] - [ 0.0000749200000000, -0.0006229000000000, 0.0000060000000000 ] - [ 0.0001487200000000, -0.0011229600000000, 0.0004373500000000 ] - [ -0.0007347900000000, -0.0010729000000000, 0.0007413800000000 ] - [ -0.0006833500000000, -0.0010435300000000, 0.0007924100000000 ] - [ 0.0002127800000000, -0.0009368200000000, 0.0006932200000000 ] - [ -0.0004582800000000, 0.0004243200000000, 0.0000198500000000 ] - [ -0.0007253200000000, -0.0022673300000000, 0.0004192300000000 ] - [ -0.0003555000000000, -0.0007034100000000, 0.0005432700000000 ] - [ 0.0005041100000000, -0.0028353900000000, 0.0005462000000000 ] - [ 0.0004914900000000, -0.0006304100000000, 0.0000507900000000 ] - [ 0.0004509600000000, -0.0011019800000000, 0.0002490000000000 ] - [ 0.0003618300000000, 0.0003446700000000, -0.0000127800000000 ] - [ 0.0003357800000000, -0.0004469300000000, -0.0002069100000000 ] - [ 0.0003702800000000, -0.0006410200000000, -0.0001833700000000 ] - [ 0.0000390600000000, -0.0015471800000000, 0.0001932000000000 ] - [ -0.0000011400000000, -0.0011238400000000, 0.0004580500000000 ] - [ -0.0003096800000000, -0.0008080800000000, -0.0004226300000000 ] - [ -0.0001812800000000, -0.0004820000000000, -0.0000263700000000 ] - [ -0.0000759700000000, -0.0015110600000000, -0.0007349000000000 ] - [ -0.0000336900000000, -0.0014076900000000, -0.0000778500000000 ] - [ -0.0001332300000000, -0.0015943400000000, 0.0003367000000000 ] - [ -0.0002317700000000, -0.0012267500000000, 0.0006902100000000 ] - [ -0.0003683900000000, -0.0018990000000000, -0.0006622700000000 ] - [ -0.0002679700000000, -0.0011354600000000, -0.0001495200000000 ] - [ -0.0157091000000000, -0.0282194700000000, -0.0097128600000000 ] - [ -0.0003722300000000, -0.0073047000000000, -0.0016076400000000 ] - [ -0.0257748900000000, 0.0299950100000000, 0.0121687600000000 ] - [ 0.0002345700000000, -0.0008490700000000, -0.0022849600000000 ] - [ -0.0000471900000000, 0.0010360400000000, -0.0000287000000000 ] - [ -0.0003443800000000, 0.0011400800000000, -0.0007968800000000 ] - [ -0.0001270500000000, 0.0033473500000000, 0.0003947500000000 ] - [ -0.0001895700000000, 0.0025559800000000, -0.0007407900000000 ] - [ 0.0026931800000000, -0.0050862500000000, 0.0001011000000000 ] - [ 0.0011387800000000, -0.0074216900000000, -0.0045871300000000 ] - [ 0.0051433500000000, 0.0015418500000000, 0.0019831500000000 ] - [ 0.0003584700000000, -0.0022419500000000, -0.0025133200000000 ] - [ 0.0001456400000000, 0.0016561200000000, -0.0001021100000000 ] - [ 0.0000095000000000, 0.0016547300000000, -0.0006902800000000 ] - [ 0.0003378800000000, 0.0019134100000000, 0.0003183800000000 ] - [ 0.0000481300000000, 0.0010812100000000, -0.0008328300000000 ]- atom: 13 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0017051100000000, -0.0005076900000000, -0.0017646800000000 ] - [ -0.0001169800000000, -0.0001263100000000, 0.0006068500000000 ] - [ -0.0001298700000000, 0.0001158700000000, -0.0007981400000000 ] - [ -0.0000365300000000, -0.0002403000000000, 0.0006245300000000 ] - [ 0.0001159000000000, -0.0006011800000000, -0.0005360700000000 ] - [ 0.0002104900000000, -0.0026997600000000, -0.0002163100000000 ] - [ -0.0001165900000000, -0.0034361900000000, 0.0014400300000000 ] - [ 0.0002989100000000, 0.0012761900000000, -0.0002037400000000 ] - [ -0.0001609700000000, -0.0008088700000000, 0.0001483700000000 ] - [ -0.0001217700000000, -0.0001488500000000, 0.0001732000000000 ] - [ -0.0000388700000000, -0.0008685600000000, 0.0001664800000000 ] - [ 0.0001959100000000, -0.0013235200000000, 0.0001428900000000 ] - [ 0.0037144100000000, 0.0955887500000000, -0.0745225400000000 ] - [ 0.0008436800000000, 0.0000738400000000, 0.0009798600000000 ] - [ 0.0007117800000000, 0.0018324600000000, 0.0014578500000000 ] - [ 0.0019577000000000, 0.0018453700000000, 0.0037651800000000 ] - [ -0.0006371300000000, 0.0009025100000000, -0.0022786800000000 ] - [ -0.0008332800000000, -0.0003992000000000, 0.0017977200000000 ] - [ 0.0006743300000000, -0.0004433600000000, -0.0025636800000000 ] - [ -0.0003193800000000, 0.0002202600000000, 0.0009328400000000 ] - [ -0.0002386000000000, -0.0005267400000000, -0.0002909100000000 ] - [ -0.0002232600000000, -0.0002995600000000, -0.0001975900000000 ] - [ 0.0002389600000000, -0.0002324600000000, 0.0002197800000000 ] - [ -0.0001782700000000, 0.0001006600000000, -0.0003316900000000 ] - [ 0.0001826300000000, -0.0015077100000000, -0.0001167400000000 ] - [ 0.0001493300000000, -0.0018558200000000, -0.0002552900000000 ] - [ 0.0001327600000000, -0.0001735800000000, -0.0003507100000000 ] - [ 0.0001238500000000, 0.0001606100000000, -0.0003301900000000 ] - [ -0.0005411900000000, -0.0021975700000000, 0.0002584700000000 ] - [ -0.0001005800000000, -0.0000097300000000, 0.0003613300000000 ] - [ 0.0002146900000000, -0.0015865300000000, 0.0004102300000000 ] - [ -0.0004110000000000, 0.0004512900000000, -0.0001752600000000 ] - [ 0.0007856100000000, -0.0009042100000000, 0.0009071300000000 ] - [ 0.0007508000000000, -0.0007665600000000, 0.0009247500000000 ] - [ 0.0006551200000000, -0.0004795700000000, 0.0000955100000000 ] - [ 0.0006792800000000, -0.0004815200000000, -0.0001968400000000 ] - [ -0.0003377200000000, -0.0002744000000000, 0.0002542000000000 ] - [ -0.0001526000000000, -0.0001198800000000, -0.0000596600000000 ] - [ 0.0001532200000000, -0.0003876800000000, -0.0004771700000000 ] - [ -0.0000576200000000, -0.0002157200000000, -0.0003180900000000 ] - [ -0.0064958800000000, 0.0004189900000000, -0.0066640600000000 ] - [ 0.0003957500000000, -0.0030538500000000, 0.0013764300000000 ] - [ -0.0045714800000000, -0.0085893700000000, 0.0027426400000000 ] - [ -0.0016991700000000, -0.0024770700000000, -0.0015622000000000 ] - [ -0.0006720200000000, 0.0006535100000000, 0.0021294000000000 ] - [ -0.0002135700000000, 0.0016598100000000, -0.0008972000000000 ] - [ -0.0001842200000000, -0.0005378000000000, 0.0017366400000000 ] - [ -0.0001800100000000, -0.0005599200000000, -0.0015120300000000 ] - [ 0.0004056300000000, 0.0004185200000000, 0.0009540400000000 ] - [ 0.0002712500000000, -0.0003572000000000, -0.0008032700000000 ] - [ -0.0007679200000000, 0.0010981500000000, 0.0031121200000000 ] - [ 0.0008630100000000, 0.0010804100000000, -0.0012121200000000 ] - [ 0.0017018100000000, -0.0088954800000000, -0.0079801400000000 ] - [ 0.0017277100000000, -0.0025915400000000, -0.0015142000000000 ] - [ -0.0067307600000000, -0.0017690400000000, 0.0059622700000000 ] - [ 0.0004434600000000, -0.0008210200000000, -0.0015487300000000 ] - [ -0.0096459400000000, -0.1067066600000000, 0.0921594300000000 ] - [ -0.0004774400000000, -0.0012992700000000, -0.0014664200000000 ] - [ -0.0063967500000000, 0.0040891400000000, -0.0028073600000000 ] - [ -0.0003732700000000, -0.0014943200000000, -0.0015241300000000 ] - [ -0.0059009700000000, 0.0175086300000000, -0.0132135700000000 ] - [ 0.0001153500000000, -0.0017847500000000, -0.0005966000000000 ] - [ -0.0004957200000000, 0.0059264600000000, 0.0044448200000000 ] - [ -0.0001929700000000, -0.0011978000000000, -0.0013490600000000 ] - [ -0.0003606500000000, 0.0015028200000000, -0.0002511900000000 ] - [ -0.0004344200000000, 0.0019968200000000, -0.0006761800000000 ] - [ -0.0001611800000000, 0.0014659400000000, 0.0005176000000000 ] - [ -0.0002106400000000, 0.0014415700000000, 0.0004703800000000 ] - [ -0.0008193200000000, 0.0015851600000000, 0.0000789700000000 ] - [ -0.0001551200000000, 0.0002535800000000, 0.0007541000000000 ] - [ 0.0001058000000000, 0.0015767200000000, 0.0003552200000000 ] - [ -0.0002579600000000, 0.0000295200000000, 0.0002303000000000 ] - [ 0.0002973900000000, 0.0014802900000000, -0.0004202200000000 ] - [ 0.0003175200000000, -0.0006393800000000, 0.0001136800000000 ] - [ 0.0003565800000000, 0.0023574800000000, -0.0000913300000000 ] - [ 0.0004450200000000, 0.0009276100000000, 0.0001666300000000 ] - [ -0.0000131000000000, 0.0012169900000000, 0.0003162400000000 ] - [ -0.0000475900000000, 0.0014099600000000, 0.0002944600000000 ] - [ 0.0002827100000000, 0.0007580400000000, -0.0000822400000000 ] - [ 0.0003192200000000, 0.0003382100000000, -0.0003397300000000 ] - [ -0.0000210500000000, 0.0015379500000000, -0.0002541300000000 ] - [ -0.0001454100000000, 0.0012168300000000, -0.0006420900000000 ] - [ -0.0002536400000000, 0.0007713000000000, 0.0000549600000000 ] - [ -0.0002935400000000, 0.0006524100000000, -0.0005919800000000 ] - [ -0.0007585800000000, 0.0011768600000000, 0.0009185200000000 ] - [ -0.0006569300000000, 0.0008078800000000, 0.0005692000000000 ] - [ 0.0000764000000000, 0.0009959800000000, 0.0004056400000000 ] - [ -0.0000203400000000, 0.0002399700000000, -0.0000905000000000 ] - [ 0.0151765900000000, 0.0259259700000000, 0.0085301300000000 ] - [ 0.0001804600000000, 0.0053506900000000, 0.0011388400000000 ] - [ 0.0251780900000000, -0.0276012700000000, -0.0124751500000000 ] - [ -0.0004087300000000, 0.0027342900000000, 0.0018053400000000 ] - [ -0.0001298900000000, -0.0029207800000000, -0.0004069900000000 ] - [ 0.0001612600000000, -0.0030266800000000, 0.0003506100000000 ] - [ -0.0000483300000000, -0.0014253000000000, -0.0008164600000000 ] - [ 0.0000076100000000, -0.0006335200000000, 0.0002890500000000 ] - [ -0.0024658500000000, 0.0052865700000000, -0.0008813700000000 ] - [ -0.0009570500000000, 0.0076080400000000, 0.0037497700000000 ] - [ -0.0049054200000000, -0.0017779200000000, -0.0027035400000000 ] - [ -0.0001856500000000, 0.0019636700000000, 0.0017140100000000 ] - [ 0.0000239600000000, -0.0013874200000000, -0.0006585200000000 ] - [ 0.0001594200000000, -0.0013872200000000, -0.0000791500000000 ] - [ -0.0001662000000000, -0.0021520900000000, -0.0010702000000000 ] - [ 0.0001204700000000, -0.0013208200000000, 0.0000574000000000 ]- atom: 13 displacement: [ -0.0049439770564842, 0.0000000000000000, 0.0086923581877968 ] forces: - [ -0.0018003200000000, 0.0008142900000000, -0.0017139500000000 ] - [ -0.0000526300000000, -0.0001505100000000, 0.0007545200000000 ] - [ -0.0001350400000000, 0.0003660100000000, -0.0005345900000000 ] - [ -0.0000904800000000, -0.0001574400000000, 0.0004350300000000 ] - [ 0.0001186500000000, -0.0004487400000000, -0.0004576300000000 ] - [ 0.0001802100000000, -0.0023874700000000, -0.0002777500000000 ] - [ -0.0009639900000000, -0.0068051700000000, -0.0024573800000000 ] - [ 0.0001897400000000, 0.0011921800000000, 0.0000701100000000 ] - [ -0.0001856700000000, -0.0003451500000000, -0.0000329200000000 ] - [ -0.0000727200000000, -0.0000938400000000, 0.0003382800000000 ] - [ -0.0000857500000000, -0.0005047300000000, 0.0001963700000000 ] - [ 0.0001112400000000, -0.0009853300000000, 0.0001468300000000 ] - [ 0.0120834400000000, 0.0669383100000000, -0.1447365900000000 ] - [ 0.0008358700000000, -0.0006121100000000, 0.0016811400000000 ] - [ 0.0006374800000000, 0.0024727500000000, 0.0023009800000000 ] - [ 0.0016567500000000, 0.0010912900000000, 0.0028783900000000 ] - [ -0.0002968200000000, 0.0006104100000000, -0.0026418700000000 ] - [ -0.0010112700000000, -0.0005914200000000, 0.0021692500000000 ] - [ 0.0006266200000000, -0.0000701600000000, -0.0021348000000000 ] - [ -0.0002509700000000, 0.0001007300000000, 0.0007588900000000 ] - [ -0.0002589300000000, -0.0004048300000000, -0.0003401700000000 ] - [ -0.0001887500000000, -0.0002372000000000, -0.0001505600000000 ] - [ 0.0002752600000000, -0.0005498800000000, 0.0002813100000000 ] - [ -0.0002050600000000, 0.0002292300000000, -0.0001222900000000 ] - [ 0.0000998100000000, -0.0015211200000000, -0.0000874700000000 ] - [ 0.0007201400000000, 0.0002334100000000, -0.0006331600000000 ] - [ 0.0001825600000000, 0.0002567100000000, -0.0003915300000000 ] - [ 0.0001398100000000, 0.0003537200000000, -0.0003131200000000 ] - [ -0.0004407800000000, -0.0014167200000000, 0.0002872900000000 ] - [ -0.0000854100000000, 0.0000840900000000, 0.0003415500000000 ] - [ 0.0003793600000000, -0.0018512200000000, 0.0004669600000000 ] - [ -0.0001948200000000, 0.0008259100000000, 0.0001125500000000 ] - [ 0.0007692000000000, -0.0005695300000000, 0.0006131600000000 ] - [ 0.0007454700000000, -0.0006036200000000, 0.0008314400000000 ] - [ 0.0006405800000000, -0.0003334900000000, 0.0002245400000000 ] - [ 0.0007231600000000, -0.0000696400000000, 0.0002712200000000 ] - [ -0.0002490300000000, -0.0001433300000000, 0.0000430900000000 ] - [ -0.0001407700000000, -0.0000579700000000, -0.0000538300000000 ] - [ 0.0002448200000000, -0.0003792200000000, -0.0006952500000000 ] - [ -0.0001340400000000, -0.0000349500000000, 0.0000820600000000 ] - [ -0.0060428400000000, 0.0009780000000000, -0.0084861900000000 ] - [ -0.0009826900000000, -0.0016855100000000, 0.0001367200000000 ] - [ -0.0062511000000000, -0.0075110600000000, 0.0009918400000000 ] - [ -0.0010390300000000, -0.0009174800000000, -0.0016887600000000 ] - [ -0.0007030400000000, 0.0003116700000000, 0.0017008900000000 ] - [ -0.0002567700000000, 0.0013106400000000, -0.0005316800000000 ] - [ 0.0010252400000000, -0.0001625700000000, 0.0029192200000000 ] - [ -0.0001635000000000, -0.0003970200000000, -0.0021168400000000 ] - [ 0.0005013900000000, -0.0003013700000000, 0.0008165200000000 ] - [ 0.0003138400000000, -0.0004386000000000, -0.0006727600000000 ] - [ 0.0009741000000000, -0.0021439100000000, 0.0009008400000000 ] - [ 0.0007209200000000, 0.0012701200000000, -0.0013732200000000 ] - [ 0.0013351300000000, -0.0028740200000000, -0.0059128200000000 ] - [ 0.0020488200000000, -0.0007675200000000, -0.0014740500000000 ] - [ -0.0042093900000000, -0.0042776800000000, 0.0071453100000000 ] - [ 0.0006336400000000, -0.0002054700000000, -0.0019728700000000 ] - [ -0.0062772100000000, -0.0903437300000000, 0.1270761500000000 ] - [ -0.0005731400000000, -0.0004611200000000, -0.0025375400000000 ] - [ -0.0065922300000000, 0.0040648000000000, -0.0013017800000000 ] - [ -0.0004210500000000, -0.0016408400000000, -0.0023558900000000 ] - [ -0.0150692600000000, 0.0270615400000000, 0.0043272800000000 ] - [ 0.0000071800000000, -0.0013094300000000, -0.0013028600000000 ] - [ -0.0011413800000000, 0.0050507900000000, 0.0058320900000000 ] - [ -0.0002567600000000, -0.0010910400000000, -0.0013844200000000 ] - [ -0.0002676000000000, 0.0010637000000000, -0.0002228900000000 ] - [ -0.0003497900000000, 0.0014670600000000, -0.0004611300000000 ] - [ -0.0002318300000000, 0.0010871000000000, 0.0006031200000000 ] - [ -0.0003268500000000, 0.0008441400000000, 0.0003892300000000 ] - [ -0.0009539300000000, 0.0017218400000000, 0.0001322700000000 ] - [ -0.0002545700000000, -0.0002586300000000, 0.0004508100000000 ] - [ 0.0000074200000000, 0.0009164700000000, 0.0004263000000000 ] - [ -0.0002977000000000, -0.0001325200000000, 0.0002012800000000 ] - [ 0.0008835400000000, 0.0049807500000000, 0.0009279000000000 ] - [ 0.0004128400000000, -0.0008671800000000, -0.0003987900000000 ] - [ 0.0003846600000000, 0.0019614200000000, 0.0000319000000000 ] - [ 0.0004339900000000, 0.0006814300000000, 0.0000914000000000 ] - [ 0.0000705000000000, 0.0009317200000000, 0.0001983100000000 ] - [ -0.0000048300000000, 0.0010234900000000, 0.0002388500000000 ] - [ 0.0000627800000000, 0.0003816500000000, 0.0003169200000000 ] - [ 0.0003057100000000, 0.0000669600000000, -0.0003955000000000 ] - [ -0.0000575000000000, 0.0010325600000000, -0.0001719400000000 ] - [ -0.0001866100000000, 0.0009088800000000, -0.0006294600000000 ] - [ -0.0000299500000000, -0.0006290400000000, 0.0003316900000000 ] - [ -0.0003181800000000, 0.0005316300000000, -0.0007893900000000 ] - [ -0.0005277500000000, 0.0005401900000000, 0.0010199900000000 ] - [ -0.0006006600000000, 0.0004692600000000, 0.0004447400000000 ] - [ 0.0000600300000000, 0.0004889000000000, 0.0006687600000000 ] - [ -0.0000788900000000, -0.0000889900000000, -0.0004598900000000 ] - [ 0.0176712300000000, 0.0127224600000000, 0.0318108100000000 ] - [ 0.0001580700000000, 0.0022148200000000, 0.0027275100000000 ] - [ 0.0220982900000000, -0.0104423400000000, -0.0221044300000000 ] - [ -0.0004101400000000, 0.0022002800000000, 0.0026305600000000 ] - [ -0.0001753000000000, -0.0022531700000000, -0.0003839400000000 ] - [ 0.0001612900000000, -0.0021612700000000, 0.0002118700000000 ] - [ -0.0002642000000000, -0.0002438700000000, -0.0016705500000000 ] - [ 0.0000915000000000, -0.0000818400000000, 0.0006831500000000 ] - [ -0.0043992500000000, 0.0022838100000000, 0.0020324400000000 ] - [ -0.0007573100000000, 0.0032626700000000, 0.0089023500000000 ] - [ -0.0043816500000000, -0.0019283300000000, -0.0042443800000000 ] - [ -0.0001654000000000, 0.0016447900000000, 0.0021374500000000 ] - [ 0.0000443700000000, -0.0008511600000000, -0.0006090900000000 ] - [ 0.0001269300000000, -0.0008218000000000, -0.0001101800000000 ] - [ -0.0001808700000000, -0.0015173700000000, -0.0015531100000000 ] - [ 0.0001498100000000, -0.0009139000000000, 0.0003498200000000 ]- atom: 13 displacement: [ 0.0049439770564842, 0.0000000000000000, -0.0086923581877968 ] forces: - [ 0.0014056600000000, -0.0011635300000000, 0.0013002700000000 ] - [ -0.0003483500000000, -0.0001934900000000, -0.0012033700000000 ] - [ -0.0002661500000000, -0.0000222400000000, 0.0001033300000000 ] - [ -0.0003087800000000, 0.0005031800000000, -0.0008771000000000 ] - [ 0.0002423500000000, -0.0010194500000000, -0.0002228500000000 ] - [ 0.0001799400000000, 0.0009432800000000, -0.0004060400000000 ] - [ 0.0013163800000000, 0.0083316200000000, 0.0017826400000000 ] - [ 0.0001706400000000, 0.0002682800000000, -0.0007565400000000 ] - [ -0.0000244500000000, 0.0006439700000000, 0.0004677700000000 ] - [ -0.0001407200000000, 0.0003920200000000, 0.0000923600000000 ] - [ -0.0001275600000000, 0.0002172700000000, 0.0002355600000000 ] - [ -0.0003256400000000, 0.0007009600000000, 0.0002847800000000 ] - [ -0.0126660900000000, -0.0604577000000000, 0.1395715800000000 ] - [ 0.0006227800000000, 0.0002169800000000, -0.0008009600000000 ] - [ 0.0008248600000000, -0.0021051000000000, -0.0014337100000000 ] - [ -0.0002050300000000, -0.0007131900000000, -0.0020223300000000 ] - [ 0.0001198200000000, -0.0005104900000000, 0.0022864400000000 ] - [ 0.0008361000000000, 0.0007040000000000, -0.0025680700000000 ] - [ -0.0008180200000000, -0.0000338400000000, 0.0017849900000000 ] - [ 0.0000671600000000, -0.0002088800000000, -0.0011408600000000 ] - [ -0.0001395900000000, 0.0000643300000000, -0.0000954900000000 ] - [ -0.0002105800000000, -0.0001052400000000, -0.0002859700000000 ] - [ -0.0006814900000000, 0.0008995700000000, -0.0007222300000000 ] - [ -0.0001943000000000, 0.0001142900000000, -0.0003149500000000 ] - [ 0.0002616400000000, 0.0000671300000000, -0.0005983600000000 ] - [ -0.0003705400000000, -0.0017090400000000, -0.0000459200000000 ] - [ 0.0001785000000000, 0.0012152200000000, -0.0002910000000000 ] - [ 0.0002210400000000, 0.0011158300000000, -0.0003692200000000 ] - [ 0.0002320700000000, 0.0017299500000000, 0.0001424000000000 ] - [ -0.0001276300000000, 0.0002108700000000, 0.0000891500000000 ] - [ -0.0005979300000000, 0.0015785200000000, -0.0000368200000000 ] - [ -0.0000163200000000, -0.0011279900000000, 0.0003216700000000 ] - [ 0.0006907100000000, 0.0001785000000000, 0.0002739100000000 ] - [ 0.0007148200000000, 0.0002114700000000, 0.0000558000000000 ] - [ 0.0008208200000000, 0.0007365400000000, 0.0006693400000000 ] - [ 0.0007374400000000, 0.0004690100000000, 0.0006208300000000 ] - [ 0.0000665200000000, 0.0002522800000000, -0.0004198800000000 ] - [ -0.0000442300000000, 0.0001656100000000, -0.0003184700000000 ] - [ -0.0004337500000000, 0.0002764200000000, 0.0003289700000000 ] - [ -0.0000520800000000, -0.0000707900000000, -0.0004542000000000 ] - [ 0.0058429500000000, -0.0000734400000000, 0.0082917400000000 ] - [ 0.0006876600000000, 0.0026129800000000, -0.0004119900000000 ] - [ 0.0054126500000000, 0.0080083400000000, 0.0002801700000000 ] - [ 0.0001513600000000, 0.0013342000000000, 0.0029700800000000 ] - [ 0.0000921200000000, 0.0003461300000000, -0.0009356600000000 ] - [ -0.0003573100000000, -0.0006590800000000, 0.0013248900000000 ] - [ -0.0016413200000000, -0.0004917700000000, -0.0021577100000000 ] - [ -0.0004514900000000, -0.0002616900000000, 0.0029254600000000 ] - [ 0.0002858600000000, -0.0009973500000000, -0.0006878400000000 ] - [ 0.0004711800000000, -0.0008550000000000, 0.0008168200000000 ] - [ -0.0001796700000000, 0.0034693900000000, -0.0007860900000000 ] - [ 0.0000520400000000, 0.0000158500000000, 0.0015319500000000 ] - [ -0.0010846800000000, 0.0037659300000000, 0.0060908300000000 ] - [ -0.0017829900000000, 0.0015749600000000, 0.0016269500000000 ] - [ 0.0045423000000000, 0.0034757600000000, -0.0070418000000000 ] - [ -0.0003480800000000, -0.0005874900000000, 0.0021236700000000 ] - [ 0.0076022600000000, 0.0850046400000000, -0.1216086200000000 ] - [ 0.0002752000000000, 0.0012492000000000, 0.0018785100000000 ] - [ 0.0063555600000000, -0.0048915600000000, 0.0006500100000000 ] - [ 0.0001222900000000, 0.0008825800000000, 0.0017003100000000 ] - [ 0.0145615700000000, -0.0279132700000000, -0.0032815100000000 ] - [ -0.0008999400000000, 0.0009237000000000, 0.0025739400000000 ] - [ 0.0008442300000000, -0.0060147500000000, -0.0061608400000000 ] - [ -0.0000386500000000, 0.0001951400000000, 0.0011315200000000 ] - [ -0.0000267500000000, -0.0001706100000000, -0.0000419200000000 ] - [ 0.0000554400000000, -0.0005770300000000, 0.0002006500000000 ] - [ -0.0006629400000000, -0.0007017000000000, 0.0006545800000000 ] - [ -0.0005668900000000, -0.0004556100000000, 0.0008708900000000 ] - [ 0.0003468400000000, -0.0010782300000000, 0.0006518700000000 ] - [ -0.0003591700000000, 0.0009252500000000, 0.0003277200000000 ] - [ -0.0006258000000000, -0.0015933600000000, 0.0003574600000000 ] - [ -0.0003163900000000, -0.0005316100000000, 0.0005815400000000 ] - [ -0.0000928900000000, -0.0063080800000000, -0.0007992400000000 ] - [ 0.0003728200000000, -0.0004212800000000, 0.0005404500000000 ] - [ 0.0004006200000000, -0.0006869300000000, 0.0001059200000000 ] - [ 0.0003507100000000, 0.0006086300000000, 0.0000432600000000 ] - [ 0.0002224100000000, -0.0001488500000000, -0.0000696400000000 ] - [ 0.0002976500000000, -0.0002411300000000, -0.0001091800000000 ] - [ 0.0002297900000000, -0.0011821900000000, -0.0001874000000000 ] - [ -0.0000162100000000, -0.0008639000000000, 0.0005319400000000 ] - [ -0.0002443000000000, -0.0002687300000000, -0.0005081000000000 ] - [ -0.0001124300000000, -0.0001400800000000, -0.0000452600000000 ] - [ -0.0002706500000000, -0.0001439900000000, -0.0010156400000000 ] - [ 0.0000196700000000, -0.0013187100000000, 0.0001153400000000 ] - [ -0.0003640400000000, -0.0009459900000000, 0.0002345300000000 ] - [ -0.0002898200000000, -0.0008752000000000, 0.0008134600000000 ] - [ -0.0003589600000000, -0.0014011300000000, -0.0009430200000000 ] - [ -0.0002181900000000, -0.0008181300000000, 0.0001975000000000 ] - [ -0.0178718300000000, -0.0150571100000000, -0.0323560600000000 ] - [ -0.0003146800000000, -0.0041993000000000, -0.0031877800000000 ] - [ -0.0223764700000000, 0.0123950700000000, 0.0218707500000000 ] - [ 0.0002474800000000, -0.0002767600000000, -0.0030903800000000 ] - [ 0.0000122400000000, 0.0003334300000000, -0.0000491600000000 ] - [ -0.0003275700000000, 0.0002392400000000, -0.0006505500000000 ] - [ 0.0001024000000000, 0.0021953000000000, 0.0012484400000000 ] - [ -0.0002570300000000, 0.0020309700000000, -0.0011248400000000 ] - [ 0.0045352800000000, -0.0020971300000000, -0.0027453900000000 ] - [ 0.0009247300000000, -0.0030522100000000, -0.0097765900000000 ] - [ 0.0045661100000000, 0.0016931600000000, 0.0035177800000000 ] - [ 0.0003354500000000, -0.0019016600000000, -0.0029178300000000 ] - [ 0.0001225600000000, 0.0011055900000000, -0.0001494400000000 ] - [ 0.0000389300000000, 0.0010752100000000, -0.0006536900000000 ] - [ 0.0003502200000000, 0.0012926900000000, 0.0008022600000000 ] - [ 0.0000165200000000, 0.0006825400000000, -0.0011175100000000 ]- atom: 17 displacement: [ 0.0099998839938813, 0.0000000000000000, -0.0000481675089282 ] forces: - [ 0.0098284400000000, 0.0018025900000000, 0.0010637800000000 ] - [ -0.0004150900000000, -0.0003958300000000, -0.0005978500000000 ] - [ -0.0002337000000000, 0.0001972700000000, -0.0002292300000000 ] - [ -0.0001710900000000, 0.0002428500000000, -0.0002287800000000 ] - [ 0.0001861800000000, -0.0006259000000000, -0.0003414500000000 ] - [ 0.0001696200000000, -0.0004904600000000, -0.0003330700000000 ] - [ 0.0007496200000000, -0.0000123700000000, 0.0004167500000000 ] - [ -0.0000536900000000, 0.0001065200000000, -0.0004001400000000 ] - [ 0.0012383300000000, 0.0022708400000000, 0.0003615500000000 ] - [ -0.0000629000000000, -0.0001064000000000, 0.0001368700000000 ] - [ -0.0001294600000000, 0.0000163000000000, 0.0002232200000000 ] - [ -0.0001354900000000, 0.0000346100000000, 0.0002318400000000 ] - [ 0.0020499600000000, 0.0003392000000000, 0.0009769600000000 ] - [ 0.0011333500000000, 0.0005650400000000, -0.0004097000000000 ] - [ 0.0006848900000000, -0.0000385300000000, 0.0002295300000000 ] - [ 0.0006879500000000, 0.0009843400000000, 0.0012673100000000 ] - [ -0.1165366900000000, -0.0349153100000000, 0.1293770400000000 ] - [ -0.0000684600000000, 0.0001700000000000, -0.0006157900000000 ] - [ -0.0001292500000000, -0.0000409400000000, -0.0000925000000000 ] - [ -0.0001291200000000, -0.0000120100000000, -0.0001421500000000 ] - [ -0.0001874000000000, -0.0001168800000000, -0.0001913000000000 ] - [ -0.0002005400000000, -0.0001340900000000, -0.0002389900000000 ] - [ 0.0001213300000000, 0.0001822500000000, -0.0001228800000000 ] - [ -0.0005734700000000, 0.0000804500000000, -0.0002142200000000 ] - [ 0.0000274100000000, -0.0006071700000000, -0.0006147200000000 ] - [ 0.0004439500000000, 0.0001116000000000, -0.0003029100000000 ] - [ 0.0001887000000000, 0.0008859100000000, -0.0003361600000000 ] - [ 0.0001734000000000, 0.0008956400000000, -0.0003479200000000 ] - [ -0.0000695700000000, 0.0003554000000000, 0.0002000000000000 ] - [ -0.0000917900000000, 0.0003351000000000, 0.0001953900000000 ] - [ 0.0002457800000000, -0.0003636100000000, -0.0000789000000000 ] - [ -0.0001262300000000, -0.0036982900000000, -0.0010849000000000 ] - [ 0.0007103700000000, 0.0000524800000000, 0.0002512800000000 ] - [ 0.0007342400000000, -0.0001368900000000, 0.0003919100000000 ] - [ 0.0006802300000000, 0.0002336200000000, 0.0003688800000000 ] - [ 0.0007223100000000, 0.0004476600000000, 0.0008343600000000 ] - [ -0.0000699500000000, 0.0001086100000000, -0.0001973800000000 ] - [ -0.0000718200000000, 0.0000962700000000, -0.0002568400000000 ] - [ 0.0003166600000000, 0.0002429900000000, -0.0006967500000000 ] - [ 0.0003163900000000, -0.0000850100000000, -0.0005143500000000 ] - [ -0.0010209400000000, 0.0008688900000000, 0.0000456900000000 ] - [ 0.0089380300000000, -0.0053011700000000, 0.0104260100000000 ] - [ -0.0011172900000000, 0.0004141600000000, 0.0007187500000000 ] - [ -0.0001853300000000, -0.0032755400000000, 0.0016316200000000 ] - [ -0.0002522700000000, 0.0001822900000000, 0.0003900900000000 ] - [ -0.0003024500000000, 0.0001736600000000, 0.0003415100000000 ] - [ 0.1043010000000000, 0.0377810500000000, -0.1386322800000000 ] - [ -0.0004067500000000, -0.0001407800000000, 0.0011039100000000 ] - [ 0.0004308800000000, -0.0007766500000000, 0.0000544500000000 ] - [ 0.0003772900000000, -0.0008681400000000, 0.0001072800000000 ] - [ -0.0037405500000000, 0.0002209900000000, -0.0018021900000000 ] - [ 0.0008917200000000, 0.0008770900000000, 0.0008955300000000 ] - [ 0.0002059900000000, 0.0005323000000000, 0.0000424300000000 ] - [ 0.0029061000000000, -0.0001939300000000, -0.0024449200000000 ] - [ 0.0009083500000000, -0.0001973600000000, -0.0006319900000000 ] - [ -0.0000390800000000, -0.0006214500000000, 0.0003065900000000 ] - [ -0.0011684400000000, 0.0001851600000000, -0.0017184800000000 ] - [ 0.0024986500000000, -0.0008090500000000, 0.0023720200000000 ] - [ -0.0000800600000000, -0.0008400600000000, -0.0010513700000000 ] - [ -0.0000771300000000, -0.0003981500000000, -0.0000163300000000 ] - [ -0.0009074200000000, -0.0011391300000000, 0.0000744900000000 ] - [ -0.0005161500000000, -0.0004494300000000, 0.0015127900000000 ] - [ -0.0001535300000000, -0.0007925400000000, -0.0004707800000000 ] - [ -0.0000893800000000, -0.0006315600000000, -0.0000355300000000 ] - [ -0.0000852700000000, 0.0001919300000000, -0.0000082600000000 ] - [ -0.0001391200000000, 0.0002130600000000, -0.0001142300000000 ] - [ -0.0004298500000000, -0.0000217700000000, 0.0007642400000000 ] - [ -0.0005140500000000, -0.0000656300000000, 0.0004798900000000 ] - [ -0.0007743200000000, 0.0002916700000000, 0.0008187500000000 ] - [ -0.0004861100000000, 0.0021037800000000, 0.0006337200000000 ] - [ -0.0003570700000000, -0.0005410600000000, 0.0003748200000000 ] - [ -0.0003300800000000, -0.0005070200000000, 0.0004185300000000 ] - [ 0.0001411200000000, -0.0003055800000000, -0.0003290200000000 ] - [ 0.0007179700000000, -0.0002656300000000, 0.0001071200000000 ] - [ 0.0004094500000000, 0.0003968500000000, 0.0000553900000000 ] - [ 0.0004028500000000, 0.0004846400000000, 0.0001186400000000 ] - [ 0.0001885100000000, 0.0002445500000000, 0.0001411900000000 ] - [ 0.0001492200000000, 0.0002817200000000, -0.0000631500000000 ] - [ -0.0004484400000000, -0.0008967300000000, 0.0001494700000000 ] - [ 0.0002012900000000, -0.0003390800000000, 0.0001872500000000 ] - [ -0.0001501300000000, 0.0001259700000000, -0.0002060900000000 ] - [ -0.0002105400000000, 0.0001909500000000, -0.0003682400000000 ] - [ -0.0004391800000000, -0.0009505400000000, -0.0008377800000000 ] - [ -0.0000267500000000, -0.0004654800000000, -0.0000675500000000 ] - [ -0.0002325000000000, -0.0010137800000000, 0.0001406600000000 ] - [ -0.0004523800000000, -0.0002012300000000, 0.0007848800000000 ] - [ -0.0010454000000000, -0.0036138000000000, -0.0003612400000000 ] - [ -0.0001737600000000, -0.0001330900000000, 0.0002429600000000 ] - [ 0.0013113100000000, -0.0007389200000000, 0.0010133400000000 ] - [ -0.0123443700000000, 0.0086297900000000, -0.0004843700000000 ] - [ -0.0006748700000000, 0.0020710900000000, 0.0009545300000000 ] - [ -0.0000945300000000, 0.0012455400000000, -0.0006113300000000 ] - [ -0.0001492300000000, -0.0005295700000000, -0.0004167700000000 ] - [ 0.0000032700000000, -0.0006170300000000, -0.0001647600000000 ] - [ 0.0009775800000000, 0.0026597600000000, 0.0007859000000000 ] - [ -0.0002903500000000, 0.0008148700000000, -0.0007591800000000 ] - [ -0.0015019300000000, -0.0022244900000000, -0.0016191200000000 ] - [ 0.0028990400000000, -0.0000760100000000, -0.0004122200000000 ] - [ 0.0003636400000000, -0.0007169600000000, -0.0000890400000000 ] - [ 0.0001837000000000, 0.0001866800000000, -0.0010773800000000 ] - [ 0.0001173500000000, 0.0004588900000000, -0.0005455800000000 ] - [ 0.0000201200000000, 0.0003432200000000, -0.0002189400000000 ] - [ -0.0001622100000000, -0.0003718800000000, 0.0001274200000000 ] - [ 0.0000714100000000, -0.0001181700000000, -0.0007014900000000 ]- atom: 17 displacement: [ -0.0099998839938813, 0.0000000000000000, 0.0000481675089282 ] forces: - [ -0.0103908100000000, -0.0021903900000000, -0.0015324500000000 ] - [ 0.0000058000000000, 0.0000510100000000, 0.0001467600000000 ] - [ -0.0001750800000000, 0.0001452200000000, -0.0002183800000000 ] - [ -0.0002384400000000, 0.0001013700000000, -0.0002189700000000 ] - [ 0.0001757800000000, -0.0008330300000000, -0.0003392900000000 ] - [ 0.0001922700000000, -0.0009667500000000, -0.0003471300000000 ] - [ -0.0003907400000000, 0.0014637800000000, -0.0010873900000000 ] - [ 0.0004160300000000, 0.0013454800000000, -0.0002845500000000 ] - [ -0.0014109500000000, -0.0019063500000000, 0.0000618600000000 ] - [ -0.0001539900000000, 0.0004118900000000, 0.0002909300000000 ] - [ -0.0000862600000000, -0.0003223400000000, 0.0002063400000000 ] - [ -0.0000803400000000, -0.0003381400000000, 0.0001982500000000 ] - [ -0.0005873700000000, -0.0007194000000000, -0.0000774600000000 ] - [ 0.0003320800000000, -0.0009419300000000, 0.0012795500000000 ] - [ 0.0007743700000000, 0.0004242500000000, 0.0006514200000000 ] - [ 0.0007726300000000, -0.0005865800000000, -0.0003754600000000 ] - [ 0.1164152100000000, 0.0365889600000000, -0.1356679000000000 ] - [ -0.0001209300000000, -0.0000577100000000, 0.0002418200000000 ] - [ -0.0000632000000000, -0.0000694300000000, -0.0002708600000000 ] - [ -0.0000620500000000, -0.0000965900000000, -0.0002231200000000 ] - [ -0.0002214500000000, -0.0002256100000000, -0.0002554100000000 ] - [ -0.0002082800000000, -0.0002085100000000, -0.0002084200000000 ] - [ -0.0005242600000000, 0.0001622300000000, -0.0003244500000000 ] - [ 0.0001672000000000, 0.0002607400000000, -0.0002311500000000 ] - [ 0.0003335000000000, -0.0008536800000000, -0.0000676100000000 ] - [ -0.0000767000000000, -0.0016013700000000, -0.0003749000000000 ] - [ 0.0001731400000000, 0.0005754000000000, -0.0003441600000000 ] - [ 0.0001884900000000, 0.0005648800000000, -0.0003326600000000 ] - [ -0.0001455400000000, -0.0000465800000000, 0.0002295800000000 ] - [ -0.0001235300000000, -0.0000232200000000, 0.0002338400000000 ] - [ -0.0004569800000000, 0.0000561900000000, 0.0004999900000000 ] - [ -0.0001091500000000, 0.0033722100000000, 0.0015223400000000 ] - [ 0.0007489400000000, -0.0004395300000000, 0.0006323200000000 ] - [ 0.0007253100000000, -0.0002519400000000, 0.0004923900000000 ] - [ 0.0007789800000000, 0.0001561400000000, 0.0005149600000000 ] - [ 0.0007364900000000, -0.0000585100000000, 0.0000498600000000 ] - [ -0.0001212200000000, 0.0000018500000000, -0.0001668900000000 ] - [ -0.0001202200000000, 0.0000139200000000, -0.0001074100000000 ] - [ -0.0005062800000000, -0.0003456700000000, 0.0003267100000000 ] - [ -0.0005081900000000, -0.0000266500000000, 0.0001487600000000 ] - [ 0.0007105500000000, 0.0000306500000000, -0.0002734900000000 ] - [ -0.0090468600000000, 0.0060903000000000, -0.0105444500000000 ] - [ 0.0002131000000000, -0.0000028400000000, 0.0005402600000000 ] - [ -0.0007192600000000, 0.0036690100000000, -0.0003637000000000 ] - [ -0.0003604000000000, 0.0004884600000000, 0.0003813800000000 ] - [ -0.0003114600000000, 0.0004930000000000, 0.0004305000000000 ] - [ -0.1050467700000000, -0.0398995500000000, 0.1451888500000000 ] - [ -0.0002037100000000, -0.0005303200000000, -0.0003205900000000 ] - [ 0.0003769800000000, -0.0004931600000000, 0.0001026300000000 ] - [ 0.0004316400000000, -0.0004030600000000, 0.0000509000000000 ] - [ 0.0045728700000000, 0.0010718200000000, 0.0019779400000000 ] - [ -0.0000811900000000, 0.0003937600000000, -0.0007314400000000 ] - [ 0.0001189300000000, 0.0002473100000000, 0.0000677900000000 ] - [ -0.0025876600000000, 0.0009475700000000, 0.0025631100000000 ] - [ -0.0005726100000000, -0.0005556500000000, 0.0007336300000000 ] - [ 0.0003618300000000, -0.0001594500000000, -0.0001873500000000 ] - [ 0.0008448500000000, 0.0005533400000000, 0.0010234900000000 ] - [ -0.0028100000000000, 0.0015310000000000, -0.0030061300000000 ] - [ -0.0002477700000000, 0.0000986000000000, 0.0003651300000000 ] - [ -0.0002508200000000, -0.0003390100000000, -0.0006533600000000 ] - [ 0.0000181900000000, 0.0007192900000000, 0.0011734500000000 ] - [ -0.0003825000000000, 0.0000403600000000, -0.0002373900000000 ] - [ -0.0001327600000000, -0.0000969500000000, 0.0002202100000000 ] - [ -0.0002016900000000, -0.0002590600000000, -0.0002076500000000 ] - [ -0.0002037400000000, 0.0006912300000000, -0.0002342200000000 ] - [ -0.0001509000000000, 0.0006714600000000, -0.0001308400000000 ] - [ -0.0004681600000000, 0.0004225800000000, 0.0005001300000000 ] - [ -0.0003831000000000, 0.0004705900000000, 0.0007827700000000 ] - [ 0.0001575100000000, 0.0003754700000000, -0.0000387800000000 ] - [ -0.0001203500000000, -0.0014229000000000, 0.0001306200000000 ] - [ -0.0002575100000000, -0.0001325600000000, 0.0003970200000000 ] - [ -0.0002823500000000, -0.0001691800000000, 0.0003511500000000 ] - [ 0.0006690600000000, -0.0009620100000000, 0.0004827700000000 ] - [ 0.0000885700000000, -0.0009955300000000, 0.0000551100000000 ] - [ 0.0003987800000000, 0.0008697400000000, 0.0001019400000000 ] - [ 0.0004056700000000, 0.0007824300000000, 0.0000386100000000 ] - [ 0.0001374800000000, 0.0005277000000000, -0.0000311300000000 ] - [ 0.0001767100000000, 0.0004921000000000, 0.0001717500000000 ] - [ 0.0007660500000000, 0.0001146400000000, -0.0000418400000000 ] - [ 0.0001241600000000, -0.0004358400000000, -0.0000752500000000 ] - [ -0.0001785900000000, 0.0006085600000000, -0.0004677900000000 ] - [ -0.0001164500000000, 0.0005461700000000, -0.0003058500000000 ] - [ 0.0001042000000000, 0.0002250700000000, 0.0001515600000000 ] - [ -0.0002999400000000, -0.0002739200000000, -0.0006033300000000 ] - [ -0.0006662900000000, 0.0006001200000000, 0.0011128300000000 ] - [ -0.0004457200000000, -0.0002043400000000, 0.0004793400000000 ] - [ 0.0007407000000000, 0.0026814800000000, 0.0001070000000000 ] - [ -0.0001148700000000, -0.0007505300000000, -0.0004848600000000 ] - [ -0.0014676100000000, -0.0011798400000000, -0.0014337000000000 ] - [ 0.0121515300000000, -0.0104877600000000, 0.0000828300000000 ] - [ 0.0004689200000000, -0.0001627100000000, -0.0013652500000000 ] - [ -0.0000837700000000, 0.0006651100000000, 0.0001633900000000 ] - [ -0.0000317800000000, -0.0013690900000000, -0.0000244500000000 ] - [ -0.0001852000000000, -0.0012861400000000, -0.0002724500000000 ] - [ -0.0011318400000000, -0.0007387400000000, -0.0011931500000000 ] - [ 0.0001090600000000, 0.0010890600000000, 0.0003131200000000 ] - [ 0.0016541300000000, 0.0024334600000000, 0.0007788300000000 ] - [ -0.0027336000000000, 0.0003520500000000, -0.0003799600000000 ] - [ -0.0001880300000000, 0.0004700500000000, -0.0006633600000000 ] - [ -0.0000131500000000, -0.0004379700000000, 0.0003029800000000 ] - [ 0.0000528700000000, -0.0002003400000000, -0.0002213200000000 ] - [ 0.0001496600000000, -0.0000871500000000, -0.0005444400000000 ] - [ 0.0003226100000000, 0.0001234000000000, -0.0008854900000000 ] - [ 0.0000975300000000, -0.0001369300000000, -0.0000717200000000 ]- atom: 17 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0018673100000000, -0.0014584300000000, 0.0012094700000000 ] - [ -0.0003298100000000, -0.0003798400000000, -0.0005453500000000 ] - [ -0.0002275400000000, 0.0002723300000000, -0.0001016100000000 ] - [ -0.0002341500000000, 0.0002820800000000, -0.0003160000000000 ] - [ 0.0001839500000000, -0.0005690900000000, -0.0003112600000000 ] - [ 0.0001636500000000, -0.0002761500000000, -0.0003511700000000 ] - [ -0.0005049800000000, 0.0001017800000000, -0.0007620800000000 ] - [ 0.0000260400000000, -0.0000635800000000, -0.0003813600000000 ] - [ 0.0198157600000000, 0.0071681200000000, -0.0303898600000000 ] - [ -0.0001244100000000, -0.0002708500000000, 0.0002275700000000 ] - [ -0.0001480200000000, 0.0002013000000000, 0.0002361000000000 ] - [ -0.0001607300000000, 0.0002918100000000, 0.0002520000000000 ] - [ 0.0015880100000000, -0.0010615200000000, 0.0015826400000000 ] - [ 0.0008574600000000, 0.0002555200000000, -0.0002279800000000 ] - [ 0.0006907600000000, -0.0000759400000000, 0.0002440300000000 ] - [ 0.0008408200000000, 0.0005892400000000, 0.0005239100000000 ] - [ -0.0358742600000000, -0.0727190900000000, 0.0535207200000000 ] - [ 0.0000237800000000, 0.0001935400000000, -0.0007575700000000 ] - [ -0.0001290300000000, 0.0000638800000000, 0.0001120900000000 ] - [ -0.0001030400000000, 0.0000632900000000, -0.0002994100000000 ] - [ -0.0001670800000000, -0.0000582900000000, -0.0001879700000000 ] - [ -0.0001834500000000, -0.0000994800000000, -0.0002160500000000 ] - [ -0.0002965100000000, 0.0002875600000000, -0.0005490500000000 ] - [ 0.0000455000000000, 0.0000666500000000, 0.0002804100000000 ] - [ 0.0001552600000000, -0.0007545600000000, -0.0005193300000000 ] - [ 0.0004400000000000, -0.0006514000000000, -0.0002162600000000 ] - [ 0.0001989000000000, 0.0010934500000000, -0.0003595500000000 ] - [ 0.0001857900000000, 0.0010244900000000, -0.0003517700000000 ] - [ -0.0000459700000000, 0.0006281500000000, 0.0001990000000000 ] - [ -0.0000749000000000, 0.0004217500000000, 0.0001791100000000 ] - [ -0.0000051100000000, -0.0002094500000000, -0.0000483000000000 ] - [ -0.0010641300000000, -0.0018868700000000, 0.0031048500000000 ] - [ 0.0007016100000000, 0.0001277000000000, 0.0002020600000000 ] - [ 0.0007232700000000, -0.0000259100000000, 0.0003115500000000 ] - [ 0.0007334700000000, 0.0003647100000000, 0.0004278500000000 ] - [ 0.0007270400000000, 0.0005367800000000, 0.0008193100000000 ] - [ -0.0000357600000000, 0.0001695900000000, -0.0002874800000000 ] - [ -0.0000481000000000, 0.0001333000000000, -0.0002823300000000 ] - [ -0.0000616100000000, -0.0000557700000000, -0.0003810300000000 ] - [ -0.0003771300000000, -0.0000631500000000, 0.0003750100000000 ] - [ -0.0011632500000000, 0.0013095100000000, 0.0007691300000000 ] - [ -0.0023543000000000, 0.0067681600000000, 0.0071631300000000 ] - [ -0.0003898600000000, 0.0013073900000000, 0.0002284100000000 ] - [ -0.0010086400000000, -0.0001614800000000, 0.0012041000000000 ] - [ -0.0002685100000000, 0.0000347400000000, 0.0002019800000000 ] - [ -0.0002215300000000, -0.0001518600000000, 0.0005232000000000 ] - [ 0.0195014600000000, 0.0572229200000000, -0.0287173800000000 ] - [ -0.0004363700000000, 0.0000147600000000, 0.0012123600000000 ] - [ 0.0004023300000000, -0.0011312500000000, -0.0001020100000000 ] - [ 0.0003957200000000, -0.0009605300000000, 0.0001692600000000 ] - [ -0.0009124600000000, 0.0016845800000000, -0.0013192900000000 ] - [ 0.0005796700000000, 0.0009648200000000, 0.0006323500000000 ] - [ 0.0000557100000000, 0.0010373900000000, 0.0002586300000000 ] - [ 0.0015293800000000, -0.0005958000000000, 0.0018747600000000 ] - [ -0.0004734100000000, -0.0017975500000000, -0.0008697100000000 ] - [ 0.0000439400000000, -0.0006353100000000, 0.0006236500000000 ] - [ -0.0006586300000000, 0.0015202700000000, -0.0009913700000000 ] - [ 0.0009310600000000, 0.0005861500000000, 0.0016767600000000 ] - [ -0.0002747600000000, -0.0010021800000000, -0.0003245200000000 ] - [ -0.0000605200000000, -0.0004220800000000, 0.0000116900000000 ] - [ -0.0009728700000000, -0.0003905000000000, 0.0000724700000000 ] - [ -0.0005524600000000, -0.0001781700000000, 0.0013476100000000 ] - [ -0.0006364800000000, -0.0012931400000000, -0.0004672200000000 ] - [ -0.0001713200000000, -0.0006635900000000, 0.0000738300000000 ] - [ -0.0000615500000000, -0.0000263300000000, -0.0000087700000000 ] - [ -0.0000324000000000, -0.0000984100000000, -0.0000333600000000 ] - [ -0.0005622000000000, -0.0002941000000000, 0.0008351300000000 ] - [ -0.0005162100000000, -0.0002751600000000, 0.0005497700000000 ] - [ -0.0002298900000000, 0.0002995500000000, 0.0008697800000000 ] - [ 0.0000897100000000, 0.0011424300000000, -0.0011392600000000 ] - [ -0.0003928100000000, -0.0007884600000000, 0.0004100100000000 ] - [ -0.0003574100000000, -0.0006192700000000, 0.0004398300000000 ] - [ 0.0009518700000000, -0.0008731500000000, 0.0006683500000000 ] - [ 0.0003167900000000, -0.0001518600000000, -0.0002102500000000 ] - [ 0.0003833300000000, 0.0001822700000000, 0.0000819100000000 ] - [ 0.0003822200000000, 0.0003882400000000, 0.0000717800000000 ] - [ 0.0001729000000000, 0.0001147300000000, 0.0000771500000000 ] - [ 0.0002516600000000, -0.0000502500000000, -0.0001409000000000 ] - [ -0.0000961900000000, -0.0010212400000000, 0.0001740100000000 ] - [ 0.0001061300000000, -0.0005787300000000, 0.0001178100000000 ] - [ -0.0001640100000000, -0.0000622600000000, -0.0002490600000000 ] - [ -0.0001749600000000, 0.0000338900000000, -0.0003551800000000 ] - [ -0.0002301000000000, -0.0007930900000000, -0.0006696900000000 ] - [ -0.0001140500000000, -0.0005514700000000, -0.0002047500000000 ] - [ -0.0003456100000000, -0.0007539000000000, 0.0005804600000000 ] - [ -0.0003886400000000, -0.0004700600000000, 0.0006797300000000 ] - [ -0.0008094200000000, -0.0001423900000000, 0.0006529000000000 ] - [ -0.0000296800000000, -0.0004251500000000, -0.0004732500000000 ] - [ 0.0010649900000000, -0.0028672500000000, 0.0000422900000000 ] - [ -0.0021009300000000, 0.0035658600000000, -0.0098476700000000 ] - [ 0.0014264500000000, 0.0030189900000000, -0.0004024600000000 ] - [ 0.0000785000000000, 0.0011627900000000, -0.0008835300000000 ] - [ -0.0000582900000000, -0.0001934800000000, -0.0003512300000000 ] - [ -0.0001937800000000, -0.0001755000000000, -0.0001794300000000 ] - [ 0.0002728800000000, 0.0027276300000000, 0.0003655700000000 ] - [ -0.0001057700000000, 0.0013576700000000, -0.0003374700000000 ] - [ -0.0015387600000000, -0.0029201500000000, 0.0006473600000000 ] - [ 0.0007797700000000, -0.0007087900000000, -0.0009181100000000 ] - [ -0.0005242500000000, 0.0011204300000000, 0.0005304400000000 ] - [ 0.0001393200000000, 0.0000078100000000, -0.0009449600000000 ] - [ 0.0000901100000000, 0.0007148800000000, -0.0004771800000000 ] - [ 0.0000722200000000, 0.0006896100000000, -0.0003122700000000 ] - [ -0.0002605400000000, 0.0015096700000000, -0.0003297600000000 ] - [ 0.0000520400000000, 0.0000791300000000, -0.0005424700000000 ]- atom: 17 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0022005900000000, 0.0011322600000000, -0.0016208100000000 ] - [ -0.0000708900000000, 0.0000348700000000, 0.0001068000000000 ] - [ -0.0001725200000000, 0.0000724100000000, -0.0003341300000000 ] - [ -0.0001666100000000, 0.0000617300000000, -0.0001233000000000 ] - [ 0.0001763100000000, -0.0008981400000000, -0.0003710400000000 ] - [ 0.0001964100000000, -0.0011881700000000, -0.0003320900000000 ] - [ 0.0008615800000000, 0.0013702700000000, 0.0000762300000000 ] - [ 0.0003331900000000, 0.0015302900000000, -0.0003013000000000 ] - [ -0.0203128400000000, -0.0072259300000000, 0.0312738700000000 ] - [ -0.0000871000000000, 0.0005700400000000, 0.0002032400000000 ] - [ -0.0000643200000000, -0.0004949300000000, 0.0001956900000000 ] - [ -0.0000516600000000, -0.0005862400000000, 0.0001794200000000 ] - [ -0.0001276900000000, 0.0006462900000000, -0.0006830200000000 ] - [ 0.0006028400000000, -0.0006539700000000, 0.0011169700000000 ] - [ 0.0007698200000000, 0.0004696100000000, 0.0006443200000000 ] - [ 0.0006203000000000, -0.0001978800000000, 0.0003563600000000 ] - [ 0.0350799100000000, 0.0715080400000000, -0.0529310400000000 ] - [ -0.0002068800000000, -0.0000868900000000, 0.0003804700000000 ] - [ -0.0000549700000000, -0.0001687000000000, -0.0004823400000000 ] - [ -0.0000809400000000, -0.0001692900000000, -0.0000753400000000 ] - [ -0.0002327600000000, -0.0002859700000000, -0.0002496400000000 ] - [ -0.0002160300000000, -0.0002448000000000, -0.0002209300000000 ] - [ -0.0001040700000000, 0.0000585700000000, 0.0001096400000000 ] - [ -0.0004509800000000, 0.0002793300000000, -0.0007235400000000 ] - [ 0.0002031700000000, -0.0007039800000000, -0.0001665500000000 ] - [ -0.0000838400000000, -0.0007977100000000, -0.0004665300000000 ] - [ 0.0001615400000000, 0.0003705600000000, -0.0003232800000000 ] - [ 0.0001743900000000, 0.0004380800000000, -0.0003310900000000 ] - [ -0.0001664400000000, -0.0003339600000000, 0.0002329000000000 ] - [ -0.0001377800000000, -0.0001292400000000, 0.0002525900000000 ] - [ -0.0002028500000000, -0.0000777200000000, 0.0004724900000000 ] - [ 0.0008614800000000, 0.0016092300000000, -0.0026847400000000 ] - [ 0.0007590800000000, -0.0005254000000000, 0.0006887100000000 ] - [ 0.0007372500000000, -0.0003688700000000, 0.0005765300000000 ] - [ 0.0007276200000000, 0.0000348100000000, 0.0004646000000000 ] - [ 0.0007342400000000, -0.0001414000000000, 0.0000690100000000 ] - [ -0.0001484200000000, -0.0000642200000000, -0.0000858700000000 ] - [ -0.0001372100000000, -0.0000282200000000, -0.0000886900000000 ] - [ -0.0001255900000000, -0.0000368800000000, 0.0000169200000000 ] - [ 0.0001985700000000, -0.0000442600000000, -0.0007562200000000 ] - [ 0.0008623200000000, -0.0003985900000000, -0.0010221300000000 ] - [ 0.0020634700000000, -0.0057611200000000, -0.0074130900000000 ] - [ -0.0004905500000000, -0.0008971700000000, 0.0010192200000000 ] - [ 0.0001160700000000, 0.0005883600000000, 0.0000551400000000 ] - [ -0.0003479800000000, 0.0006270500000000, 0.0005829500000000 ] - [ -0.0003935300000000, 0.0008138100000000, 0.0002671700000000 ] - [ -0.0192944700000000, -0.0563191900000000, 0.0281510400000000 ] - [ -0.0001784700000000, -0.0006815400000000, -0.0004218900000000 ] - [ 0.0003838000000000, -0.0001605500000000, 0.0002365600000000 ] - [ 0.0003903900000000, -0.0003286200000000, -0.0000315900000000 ] - [ 0.0016715300000000, -0.0004061100000000, 0.0014270000000000 ] - [ 0.0002085900000000, 0.0003266500000000, -0.0004891300000000 ] - [ 0.0002302700000000, -0.0002346900000000, -0.0001223500000000 ] - [ -0.0012395400000000, 0.0014049200000000, -0.0017142000000000 ] - [ 0.0007477500000000, 0.0009867100000000, 0.0009927500000000 ] - [ 0.0002451400000000, -0.0001538800000000, -0.0004898100000000 ] - [ 0.0003643900000000, -0.0007323500000000, 0.0003198900000000 ] - [ -0.0012452400000000, 0.0001903400000000, -0.0023574100000000 ] - [ -0.0000306900000000, 0.0002322100000000, -0.0003449500000000 ] - [ -0.0002443700000000, -0.0003450600000000, -0.0006902200000000 ] - [ 0.0000759700000000, 0.0000022500000000, 0.0011820500000000 ] - [ -0.0003368300000000, -0.0002141600000000, -0.0000917700000000 ] - [ 0.0003348300000000, 0.0003883800000000, 0.0002028300000000 ] - [ -0.0001208800000000, -0.0002329700000000, -0.0003361100000000 ] - [ -0.0002317600000000, 0.0009271900000000, -0.0002574200000000 ] - [ -0.0002608100000000, 0.0009990800000000, -0.0002301500000000 ] - [ -0.0003274800000000, 0.0006905000000000, 0.0004162900000000 ] - [ -0.0003739300000000, 0.0006710300000000, 0.0007067900000000 ] - [ -0.0003856600000000, 0.0003511000000000, -0.0000821400000000 ] - [ -0.0007126800000000, -0.0004819100000000, 0.0019391400000000 ] - [ -0.0002227700000000, 0.0001265800000000, 0.0003785800000000 ] - [ -0.0002566800000000, -0.0000419300000000, 0.0003472700000000 ] - [ -0.0001679700000000, -0.0004240900000000, -0.0005349300000000 ] - [ 0.0004727100000000, -0.0011419600000000, 0.0003495200000000 ] - [ 0.0004022300000000, 0.0011086400000000, 0.0000544900000000 ] - [ 0.0004026100000000, 0.0009039800000000, 0.0000627300000000 ] - [ 0.0001174200000000, 0.0006752400000000, 0.0000525100000000 ] - [ 0.0000367600000000, 0.0008428500000000, 0.0002733100000000 ] - [ 0.0003935100000000, 0.0002319900000000, -0.0000422700000000 ] - [ 0.0001814600000000, -0.0002152400000000, 0.0000173900000000 ] - [ -0.0001398500000000, 0.0008323700000000, -0.0004315700000000 ] - [ -0.0001279200000000, 0.0007367500000000, -0.0003205500000000 ] - [ -0.0000685300000000, 0.0000168000000000, -0.0000035600000000 ] - [ -0.0001875700000000, -0.0002252400000000, -0.0004713700000000 ] - [ -0.0005421600000000, 0.0003599600000000, 0.0006775900000000 ] - [ -0.0004998100000000, 0.0000703200000000, 0.0005744000000000 ] - [ 0.0005426500000000, -0.0007178800000000, -0.0009302600000000 ] - [ -0.0002654300000000, -0.0004771200000000, 0.0002148500000000 ] - [ -0.0012315200000000, 0.0008997400000000, -0.0004831700000000 ] - [ 0.0019622300000000, -0.0055592500000000, 0.0093461700000000 ] - [ -0.0015613000000000, -0.0010699900000000, -0.0000501200000000 ] - [ -0.0002417700000000, 0.0007643800000000, 0.0004480400000000 ] - [ -0.0001058900000000, -0.0017413900000000, -0.0000779000000000 ] - [ 0.0000303800000000, -0.0017593400000000, -0.0002577200000000 ] - [ -0.0004585000000000, -0.0008015300000000, -0.0008178600000000 ] - [ -0.0000592800000000, 0.0005813800000000, -0.0001008900000000 ] - [ 0.0017091800000000, 0.0031055200000000, -0.0014135700000000 ] - [ -0.0006183300000000, 0.0009328500000000, 0.0001576500000000 ] - [ 0.0006806600000000, -0.0013522500000000, -0.0012895600000000 ] - [ 0.0000272300000000, -0.0002532800000000, 0.0001824900000000 ] - [ 0.0000763300000000, -0.0004733600000000, -0.0002811300000000 ] - [ 0.0000939700000000, -0.0004488500000000, -0.0004524900000000 ] - [ 0.0004371500000000, -0.0017566200000000, -0.0004256000000000 ] - [ 0.0001144400000000, -0.0003153200000000, -0.0002222000000000 ]- atom: 17 displacement: [ -0.0049439770564842, 0.0000000000000000, 0.0086923581877968 ] forces: - [ -0.0080048100000000, -0.0012630800000000, -0.0074270500000000 ] - [ 0.0003367300000000, 0.0002844300000000, 0.0009880800000000 ] - [ -0.0001575500000000, 0.0002253800000000, -0.0001329000000000 ] - [ -0.0002342300000000, -0.0000329000000000, -0.0002119000000000 ] - [ 0.0001710200000000, -0.0009421200000000, -0.0003133600000000 ] - [ 0.0001944000000000, -0.0012513900000000, -0.0003869400000000 ] - [ 0.0011001300000000, 0.0008359500000000, -0.0005442800000000 ] - [ 0.0006295800000000, 0.0022287300000000, 0.0002105100000000 ] - [ -0.0020780400000000, -0.0059993400000000, 0.0010129800000000 ] - [ -0.0001400300000000, 0.0008671600000000, 0.0005231900000000 ] - [ -0.0000671600000000, -0.0004527900000000, 0.0002121100000000 ] - [ -0.0000470700000000, -0.0006401400000000, 0.0001427000000000 ] - [ 0.0003520600000000, 0.0013422800000000, -0.0020902300000000 ] - [ 0.0002754600000000, -0.0022804000000000, 0.0030409400000000 ] - [ 0.0008253200000000, 0.0012766100000000, 0.0015247200000000 ] - [ 0.0005274500000000, -0.0022311500000000, -0.0020138000000000 ] - [ 0.1787101500000000, 0.0675131200000000, -0.2767174500000000 ] - [ -0.0004598600000000, -0.0004870600000000, 0.0015885400000000 ] - [ -0.0000383500000000, 0.0000346400000000, -0.0002581200000000 ] - [ 0.0000030700000000, -0.0003291600000000, -0.0002330700000000 ] - [ -0.0002522100000000, -0.0002852700000000, -0.0003272500000000 ] - [ -0.0001842400000000, -0.0002539100000000, -0.0001368900000000 ] - [ -0.0004200400000000, -0.0000082800000000, 0.0003872400000000 ] - [ 0.0003171600000000, 0.0007380300000000, -0.0000291300000000 ] - [ 0.0002993200000000, -0.0009697000000000, 0.0002861300000000 ] - [ 0.0000361700000000, -0.0008422000000000, -0.0007816400000000 ] - [ 0.0001869600000000, 0.0004375100000000, -0.0003602300000000 ] - [ 0.0001962800000000, 0.0003373200000000, -0.0003135600000000 ] - [ -0.0001627700000000, -0.0001222500000000, 0.0002269300000000 ] - [ -0.0001525500000000, -0.0003544000000000, 0.0002747900000000 ] - [ -0.0004642800000000, 0.0000390400000000, 0.0010647400000000 ] - [ -0.0020037200000000, 0.0086482900000000, 0.0016993700000000 ] - [ 0.0007792000000000, -0.0006990400000000, 0.0007881500000000 ] - [ 0.0007214700000000, -0.0003343200000000, 0.0005936300000000 ] - [ 0.0007728400000000, 0.0000691100000000, 0.0007546600000000 ] - [ 0.0007680100000000, -0.0001778000000000, -0.0002321800000000 ] - [ -0.0001158500000000, -0.0000584200000000, -0.0002462200000000 ] - [ -0.0001641000000000, -0.0000482600000000, 0.0000456200000000 ] - [ -0.0005717000000000, -0.0006812800000000, 0.0008949400000000 ] - [ -0.0007260200000000, 0.0001305600000000, 0.0008059200000000 ] - [ 0.0009992000000000, -0.0001925800000000, -0.0024081900000000 ] - [ -0.0025312500000000, 0.0118082700000000, -0.0205237200000000 ] - [ -0.0000589000000000, -0.0018011200000000, -0.0000013700000000 ] - [ -0.0002649800000000, 0.0092199100000000, -0.0025620600000000 ] - [ -0.0004042600000000, 0.0005734800000000, 0.0002059200000000 ] - [ -0.0003946500000000, 0.0009215500000000, 0.0005911300000000 ] - [ -0.1775279600000000, -0.0726354700000000, 0.2845881900000000 ] - [ 0.0000706300000000, -0.0007337700000000, -0.0021940700000000 ] - [ 0.0004207500000000, -0.0004512700000000, 0.0001736400000000 ] - [ 0.0004144400000000, -0.0000553700000000, -0.0000430900000000 ] - [ 0.0046821900000000, 0.0003582700000000, 0.0057232000000000 ] - [ -0.0002969700000000, 0.0004091600000000, -0.0020928000000000 ] - [ 0.0003457500000000, -0.0007361500000000, -0.0014416500000000 ] - [ -0.0057345200000000, 0.0048362500000000, 0.0030017800000000 ] - [ -0.0011977100000000, -0.0026622800000000, 0.0021193200000000 ] - [ 0.0006269900000000, 0.0005730100000000, -0.0013120500000000 ] - [ -0.0010475800000000, -0.0014384900000000, -0.0003861400000000 ] - [ -0.0047232100000000, 0.0022259800000000, -0.0064344700000000 ] - [ 0.0002212300000000, 0.0006605900000000, 0.0023157300000000 ] - [ -0.0004720500000000, -0.0004690900000000, -0.0018561600000000 ] - [ -0.0002537600000000, 0.0004135300000000, 0.0033239200000000 ] - [ -0.0002990800000000, 0.0004287800000000, -0.0019490600000000 ] - [ -0.0004010700000000, -0.0001901800000000, 0.0006613000000000 ] - [ -0.0002725400000000, 0.0001282000000000, -0.0006091500000000 ] - [ -0.0002594100000000, 0.0010053400000000, -0.0004638900000000 ] - [ -0.0001930000000000, 0.0009712100000000, -0.0000771400000000 ] - [ -0.0004057700000000, 0.0007964300000000, 0.0002340700000000 ] - [ -0.0003511500000000, 0.0005945500000000, 0.0009044600000000 ] - [ -0.0000494300000000, 0.0006739300000000, -0.0010113700000000 ] - [ 0.0005458600000000, -0.0042718400000000, 0.0003904500000000 ] - [ -0.0002118000000000, -0.0000019700000000, 0.0004870500000000 ] - [ -0.0002466000000000, 0.0000947400000000, 0.0002574900000000 ] - [ -0.0000861000000000, 0.0000621800000000, -0.0000715000000000 ] - [ -0.0001495400000000, -0.0019124400000000, -0.0004935800000000 ] - [ 0.0003874000000000, 0.0011569000000000, 0.0001726800000000 ] - [ 0.0003729700000000, 0.0009659400000000, -0.0000877100000000 ] - [ 0.0001126200000000, 0.0007036100000000, -0.0002055000000000 ] - [ 0.0000685400000000, 0.0006584600000000, 0.0004775500000000 ] - [ 0.0012466800000000, 0.0008642000000000, 0.0002151500000000 ] - [ 0.0000713100000000, -0.0005978700000000, -0.0003449300000000 ] - [ -0.0001590100000000, 0.0008957700000000, -0.0005928400000000 ] - [ -0.0000601400000000, 0.0007903300000000, -0.0002768800000000 ] - [ 0.0005130200000000, -0.0000559900000000, 0.0013029700000000 ] - [ -0.0004474700000000, -0.0001218200000000, -0.0012942900000000 ] - [ -0.0007665200000000, 0.0015094700000000, 0.0019691900000000 ] - [ -0.0004298800000000, -0.0002583800000000, 0.0001199600000000 ] - [ 0.0016595100000000, 0.0068745900000000, 0.0009048100000000 ] - [ -0.0001762200000000, -0.0013614400000000, -0.0011906700000000 ] - [ -0.0010774300000000, 0.0013774900000000, 0.0023457700000000 ] - [ 0.0216760800000000, -0.0261313900000000, 0.0132202200000000 ] - [ 0.0013504700000000, 0.0009041700000000, -0.0042473900000000 ] - [ -0.0001373600000000, -0.0000231900000000, 0.0018079900000000 ] - [ -0.0000540200000000, -0.0019961600000000, 0.0003139800000000 ] - [ -0.0001311600000000, -0.0015765800000000, -0.0004394200000000 ] - [ -0.0025826000000000, -0.0025028700000000, -0.0039355700000000 ] - [ 0.0004693100000000, 0.0014337800000000, 0.0015086600000000 ] - [ 0.0011288300000000, 0.0063100900000000, 0.0081506300000000 ] - [ -0.0048409400000000, -0.0006173700000000, -0.0001950800000000 ] - [ -0.0001535200000000, -0.0000416900000000, -0.0027483200000000 ] - [ -0.0002137300000000, -0.0008386000000000, 0.0020085100000000 ] - [ 0.0000311900000000, -0.0006623900000000, 0.0000736800000000 ] - [ 0.0001898700000000, -0.0002955100000000, -0.0007959500000000 ] - [ 0.0005133000000000, -0.0008914100000000, -0.0023712000000000 ] - [ 0.0001868800000000, 0.0000610100000000, 0.0007781200000000 ]- atom: 17 displacement: [ 0.0049439770564842, 0.0000000000000000, -0.0086923581877968 ] forces: - [ 0.0077684400000000, 0.0009338200000000, 0.0071310500000000 ] - [ -0.0007378100000000, -0.0006408800000000, -0.0014426200000000 ] - [ -0.0002326000000000, 0.0001185200000000, -0.0002931200000000 ] - [ -0.0001548700000000, 0.0003831500000000, -0.0002137900000000 ] - [ 0.0001874700000000, -0.0005252600000000, -0.0003711900000000 ] - [ 0.0001633300000000, -0.0002063600000000, -0.0002959500000000 ] - [ -0.0007612300000000, 0.0006350600000000, -0.0001419900000000 ] - [ -0.0002822200000000, -0.0007954900000000, -0.0009072100000000 ] - [ 0.0018725400000000, 0.0066022300000000, -0.0005636700000000 ] - [ -0.0000695800000000, -0.0006070200000000, -0.0000962900000000 ] - [ -0.0001437500000000, 0.0001820400000000, 0.0002216100000000 ] - [ -0.0001643900000000, 0.0003721400000000, 0.0002926600000000 ] - [ 0.0011102900000000, -0.0017898900000000, 0.0030420000000000 ] - [ 0.0011966200000000, 0.0019284200000000, -0.0022126400000000 ] - [ 0.0006323700000000, -0.0008979900000000, -0.0006548800000000 ] - [ 0.0009379300000000, 0.0026959300000000, 0.0029718600000000 ] - [ -0.1646467900000000, -0.0603492800000000, 0.2538077600000000 ] - [ 0.0002942000000000, 0.0006036900000000, -0.0020212600000000 ] - [ -0.0001402800000000, -0.0001381500000000, -0.0001223700000000 ] - [ -0.0001838100000000, 0.0002345100000000, -0.0001469600000000 ] - [ -0.0001367600000000, -0.0000572400000000, -0.0000960800000000 ] - [ -0.0002049300000000, -0.0000888800000000, -0.0002890000000000 ] - [ 0.0000355400000000, 0.0003588300000000, -0.0008245200000000 ] - [ -0.0007167000000000, -0.0004052700000000, -0.0003969200000000 ] - [ 0.0000553200000000, -0.0004947900000000, -0.0009840400000000 ] - [ 0.0003282400000000, -0.0006289400000000, 0.0001079400000000 ] - [ 0.0001711600000000, 0.0010418200000000, -0.0003234500000000 ] - [ 0.0001615100000000, 0.0011437900000000, -0.0003711400000000 ] - [ -0.0000459400000000, 0.0004079800000000, 0.0002063600000000 ] - [ -0.0000563600000000, 0.0006436300000000, 0.0001573800000000 ] - [ 0.0002644300000000, -0.0003156600000000, -0.0006547200000000 ] - [ 0.0018322900000000, -0.0091469200000000, -0.0012826900000000 ] - [ 0.0006799800000000, 0.0003051300000000, 0.0001003100000000 ] - [ 0.0007390300000000, -0.0000656700000000, 0.0002970600000000 ] - [ 0.0006867300000000, 0.0003397700000000, 0.0001349600000000 ] - [ 0.0006916100000000, 0.0005913800000000, 0.0011429200000000 ] - [ -0.0000615700000000, 0.0001623900000000, -0.0001344500000000 ] - [ -0.0000111100000000, 0.0001524600000000, -0.0004345200000000 ] - [ 0.0004021200000000, 0.0005980300000000, -0.0012965000000000 ] - [ 0.0005611100000000, -0.0002358000000000, -0.0012087400000000 ] - [ -0.0013387600000000, 0.0011245900000000, 0.0021904100000000 ] - [ 0.0022437100000000, -0.0113362600000000, 0.0210566700000000 ] - [ -0.0008362900000000, 0.0022399300000000, 0.0012623700000000 ] - [ -0.0006228400000000, -0.0090673800000000, 0.0038923500000000 ] - [ -0.0002074600000000, 0.0000863700000000, 0.0005915300000000 ] - [ -0.0002169300000000, -0.0002703700000000, 0.0001977300000000 ] - [ 0.1628527200000000, 0.0649522200000000, -0.2619254100000000 ] - [ -0.0006961000000000, 0.0000769300000000, 0.0030547000000000 ] - [ 0.0003443400000000, -0.0008571000000000, -0.0000572700000000 ] - [ 0.0003503800000000, -0.0012629900000000, 0.0001648600000000 ] - [ -0.0040020300000000, 0.0009583500000000, -0.0057183000000000 ] - [ 0.0010791300000000, 0.0008999900000000, 0.0022621200000000 ] - [ -0.0001005000000000, 0.0015739800000000, 0.0016319900000000 ] - [ 0.0061288700000000, -0.0041383200000000, -0.0029129100000000 ] - [ 0.0014737100000000, 0.0018998300000000, -0.0020074700000000 ] - [ -0.0003869200000000, -0.0014014800000000, 0.0014999500000000 ] - [ 0.0007804800000000, 0.0022847300000000, -0.0002993600000000 ] - [ 0.0045637000000000, -0.0014705500000000, 0.0059022700000000 ] - [ -0.0005054700000000, -0.0014884000000000, -0.0030635500000000 ] - [ 0.0002054800000000, -0.0003313800000000, 0.0012090000000000 ] - [ -0.0006412500000000, -0.0008044400000000, -0.0021372600000000 ] - [ -0.0005912200000000, -0.0008290100000000, 0.0032610400000000 ] - [ 0.0001023000000000, -0.0007246000000000, -0.0009655600000000 ] - [ -0.0000236700000000, -0.0010497100000000, 0.0003352100000000 ] - [ -0.0000368400000000, -0.0001114600000000, 0.0001862400000000 ] - [ -0.0001070800000000, -0.0000744300000000, -0.0002105800000000 ] - [ -0.0004844500000000, -0.0004267900000000, 0.0010245800000000 ] - [ -0.0005397800000000, -0.0002211200000000, 0.0003407600000000 ] - [ -0.0005695500000000, -0.0000211300000000, 0.0018362500000000 ] - [ -0.0011757900000000, 0.0050459900000000, 0.0003937200000000 ] - [ -0.0004040700000000, -0.0006715400000000, 0.0003039200000000 ] - [ -0.0003687800000000, -0.0007705600000000, 0.0005387200000000 ] - [ 0.0008606600000000, -0.0013825700000000, 0.0001956300000000 ] - [ 0.0009266600000000, 0.0006399900000000, 0.0006239700000000 ] - [ 0.0003795100000000, 0.0001330300000000, -0.0000545500000000 ] - [ 0.0003929400000000, 0.0003299300000000, 0.0002102100000000 ] - [ 0.0001417200000000, 0.0000933300000000, 0.0003643500000000 ] - [ 0.0001870500000000, 0.0001390900000000, -0.0003328600000000 ] - [ -0.0010161200000000, -0.0016978500000000, -0.0000629600000000 ] - [ 0.0001826500000000, -0.0002043300000000, 0.0005087900000000 ] - [ -0.0001150000000000, -0.0001045000000000, -0.0000856900000000 ] - [ -0.0002154900000000, 0.0000010400000000, -0.0004070400000000 ] - [ -0.0008008300000000, -0.0007540500000000, -0.0020217100000000 ] - [ 0.0001799600000000, -0.0006879400000000, 0.0006314700000000 ] - [ -0.0001156100000000, -0.0019304800000000, -0.0007457200000000 ] - [ -0.0004588200000000, -0.0001265500000000, 0.0011408800000000 ] - [ -0.0019912800000000, -0.0079023800000000, -0.0012136300000000 ] - [ -0.0001215800000000, 0.0004729900000000, 0.0009264700000000 ] - [ 0.0009677800000000, -0.0034205500000000, -0.0028242900000000 ] - [ -0.0224231900000000, 0.0248064400000000, -0.0139348300000000 ] - [ -0.0015207700000000, 0.0010542900000000, 0.0039045200000000 ] - [ -0.0000105200000000, 0.0020106300000000, -0.0022866600000000 ] - [ -0.0000942100000000, 0.0000555600000000, -0.0007540000000000 ] - [ -0.0000151900000000, -0.0003730100000000, 0.0000153500000000 ] - [ 0.0024864500000000, 0.0045451700000000, 0.0035817700000000 ] - [ -0.0006278900000000, 0.0005243400000000, -0.0019755900000000 ] - [ -0.0010175400000000, -0.0062269600000000, -0.0090388600000000 ] - [ 0.0051262800000000, 0.0008634300000000, -0.0005627600000000 ] - [ 0.0003193000000000, -0.0001866900000000, 0.0020464900000000 ] - [ 0.0003850000000000, 0.0006264300000000, -0.0028256700000000 ] - [ 0.0001329100000000, 0.0009100600000000, -0.0008389600000000 ] - [ -0.0000291700000000, 0.0005355400000000, 0.0000487900000000 ] - [ -0.0003594400000000, 0.0006885800000000, 0.0016570300000000 ] - [ -0.0000268100000000, -0.0002911300000000, -0.0015617900000000 ]- atom: 41 displacement: [ 0.0099998839938813, 0.0000000000000000, -0.0000481675089282 ] forces: - [ 0.0008394100000000, -0.0002795900000000, 0.0002450500000000 ] - [ -0.0019997500000000, -0.0017965400000000, 0.0000073900000000 ] - [ -0.0004693800000000, 0.0002498100000000, -0.0003903700000000 ] - [ -0.0001367500000000, 0.0001740600000000, -0.0002147900000000 ] - [ 0.0002290700000000, -0.0005108100000000, -0.0003156400000000 ] - [ 0.0001663800000000, -0.0004366000000000, -0.0003334200000000 ] - [ -0.0003063500000000, -0.0024213600000000, -0.0008827100000000 ] - [ 0.0000754700000000, 0.0007132700000000, -0.0009005000000000 ] - [ -0.0003061200000000, 0.0007312600000000, 0.0008746900000000 ] - [ 0.0000240100000000, -0.0014915100000000, -0.0006023400000000 ] - [ -0.0001587400000000, 0.0005321600000000, 0.0003413700000000 ] - [ -0.0001442600000000, 0.0001360200000000, 0.0002335800000000 ] - [ 0.0035547400000000, 0.0061653600000000, -0.0047502300000000 ] - [ -0.0002441300000000, -0.0007233300000000, -0.0010828700000000 ] - [ 0.0013130300000000, -0.0001630500000000, -0.0003788600000000 ] - [ 0.0006471500000000, 0.0001516800000000, 0.0002731800000000 ] - [ -0.0009589500000000, -0.0009612200000000, 0.0006865000000000 ] - [ 0.0088317800000000, -0.0022067600000000, 0.0023845800000000 ] - [ -0.0001062000000000, 0.0004243600000000, -0.0004809000000000 ] - [ -0.0000392400000000, -0.0000327500000000, -0.0002936200000000 ] - [ -0.0001965300000000, -0.0000854900000000, -0.0002132300000000 ] - [ -0.0001713400000000, -0.0000805400000000, -0.0002034000000000 ] - [ 0.0013912100000000, -0.0004691700000000, 0.0007577000000000 ] - [ -0.0004148500000000, 0.0001809100000000, -0.0003136000000000 ] - [ -0.0003336700000000, -0.0007802400000000, -0.0002385400000000 ] - [ 0.0002370100000000, -0.0010554600000000, -0.0003045600000000 ] - [ 0.0001985200000000, 0.0010340000000000, -0.0003485200000000 ] - [ 0.0001443300000000, 0.0010780500000000, -0.0003839100000000 ] - [ -0.0000265300000000, 0.0005920300000000, 0.0001565200000000 ] - [ -0.0001511800000000, 0.0002548500000000, 0.0002391100000000 ] - [ 0.0039679500000000, 0.0113057400000000, 0.0011573600000000 ] - [ -0.0002418200000000, -0.0004304900000000, 0.0003111800000000 ] - [ 0.0007095200000000, 0.0000228000000000, 0.0002900200000000 ] - [ 0.0007113000000000, 0.0000934300000000, 0.0001979700000000 ] - [ 0.0006715400000000, 0.0004146800000000, 0.0006429300000000 ] - [ 0.0007210500000000, 0.0003186700000000, 0.0005174400000000 ] - [ -0.0000373000000000, 0.0001430900000000, -0.0002760500000000 ] - [ -0.0000900100000000, 0.0001728200000000, -0.0002297000000000 ] - [ -0.0009772600000000, 0.0006246600000000, 0.0014030000000000 ] - [ -0.0001270000000000, -0.0001789800000000, -0.0002251800000000 ] - [ -0.1679172800000000, 0.1330091700000000, -0.0781877100000000 ] - [ 0.0005893400000000, 0.0011511100000000, -0.0007734900000000 ] - [ -0.0092091500000000, 0.0104679900000000, -0.0040882500000000 ] - [ 0.0002955000000000, 0.0008906400000000, 0.0003526100000000 ] - [ 0.0000718500000000, -0.0008456800000000, 0.0004419800000000 ] - [ -0.0004084600000000, 0.0001021700000000, 0.0004702200000000 ] - [ 0.0013373400000000, 0.0002001200000000, -0.0032705100000000 ] - [ -0.0001478600000000, 0.0030692600000000, -0.0079881700000000 ] - [ 0.0005413300000000, -0.0008767800000000, 0.0001641700000000 ] - [ 0.0002060900000000, -0.0011908700000000, -0.0001384200000000 ] - [ -0.0003377000000000, 0.0011396600000000, 0.0000138700000000 ] - [ 0.0075899000000000, 0.0011686600000000, 0.0008521800000000 ] - [ 0.0193439400000000, -0.0264087700000000, 0.0027394100000000 ] - [ -0.0000316700000000, 0.0008609900000000, 0.0003420500000000 ] - [ 0.0018312000000000, 0.0005758800000000, -0.0006708700000000 ] - [ -0.0012378700000000, -0.0003635500000000, 0.0000541600000000 ] - [ 0.0050480200000000, -0.0109057000000000, 0.0213992900000000 ] - [ 0.0004808400000000, 0.0009269600000000, 0.0009956700000000 ] - [ 0.0004517800000000, -0.0008068100000000, -0.0002504400000000 ] - [ -0.0013143400000000, -0.0002054300000000, -0.0001914000000000 ] - [ -0.0000388200000000, -0.0040880900000000, 0.0026210300000000 ] - [ 0.0020212200000000, 0.0049918200000000, 0.0031790700000000 ] - [ -0.0001950200000000, -0.0010076500000000, -0.0002721500000000 ] - [ -0.0002016100000000, 0.0003563400000000, 0.0004127500000000 ] - [ 0.0001038200000000, -0.0003441900000000, -0.0000216600000000 ] - [ -0.0001001400000000, 0.0000244900000000, -0.0000108700000000 ] - [ -0.0004421100000000, -0.0002398600000000, 0.0006247200000000 ] - [ -0.0005983300000000, -0.0001836900000000, 0.0008153000000000 ] - [ -0.0026272500000000, -0.0112846900000000, -0.0007182500000000 ] - [ -0.0001169500000000, 0.0005564800000000, 0.0004064600000000 ] - [ -0.0003964400000000, -0.0007488300000000, 0.0004220000000000 ] - [ -0.0003116500000000, -0.0005236100000000, 0.0003836400000000 ] - [ -0.0001195900000000, 0.0013460300000000, -0.0003910300000000 ] - [ 0.0005958500000000, -0.0006198600000000, 0.0005618100000000 ] - [ 0.0004222700000000, 0.0002982900000000, 0.0000885300000000 ] - [ 0.0003546700000000, 0.0002991400000000, 0.0000859500000000 ] - [ 0.0004607600000000, -0.0002805100000000, -0.0001158800000000 ] - [ 0.0001778500000000, 0.0001698200000000, -0.0000021200000000 ] - [ -0.0001202400000000, -0.0007326300000000, -0.0002211400000000 ] - [ 0.0003134500000000, -0.0005438800000000, 0.0002836200000000 ] - [ -0.0001667200000000, -0.0000408600000000, -0.0003600000000000 ] - [ -0.0001936200000000, -0.0000478200000000, -0.0002299600000000 ] - [ -0.0004103300000000, -0.0003087400000000, -0.0006877200000000 ] - [ 0.0001151700000000, -0.0006392000000000, -0.0001199000000000 ] - [ -0.0003393600000000, -0.0007639000000000, 0.0003699000000000 ] - [ -0.0005452300000000, -0.0005459900000000, 0.0009545000000000 ] - [ -0.0001014900000000, -0.0014391300000000, -0.0014027100000000 ] - [ -0.0000893600000000, 0.0004061600000000, 0.0002859200000000 ] - [ 0.1388219400000000, -0.1091414200000000, 0.0650126900000000 ] - [ -0.0011557600000000, -0.0025003000000000, -0.0010730300000000 ] - [ -0.0024411100000000, 0.0029473500000000, 0.0004377800000000 ] - [ 0.0033903100000000, -0.0016699900000000, -0.0014515300000000 ] - [ -0.0005039200000000, 0.0000494300000000, -0.0001451800000000 ] - [ -0.0000317700000000, -0.0003413900000000, -0.0002960600000000 ] - [ 0.0006219400000000, 0.0019713100000000, 0.0008744400000000 ] - [ -0.0003322200000000, 0.0010539700000000, -0.0010381400000000 ] - [ -0.0098734500000000, -0.0052136400000000, 0.0007600500000000 ] - [ 0.0007889000000000, 0.0000171500000000, -0.0005174700000000 ] - [ 0.0004761500000000, -0.0001118400000000, 0.0000180100000000 ] - [ -0.0011459000000000, 0.0031142700000000, 0.0036133700000000 ] - [ 0.0002013400000000, 0.0008820500000000, -0.0003507300000000 ] - [ 0.0000432400000000, 0.0005830700000000, -0.0003954700000000 ] - [ -0.0001842900000000, -0.0001495200000000, -0.0002677600000000 ] - [ -0.0001051200000000, 0.0010751900000000, -0.0017457200000000 ]- atom: 41 displacement: [ -0.0099998839938813, 0.0000000000000000, 0.0000481675089282 ] forces: - [ -0.0012431000000000, -0.0000630500000000, -0.0006880800000000 ] - [ 0.0015742100000000, 0.0014520100000000, -0.0004720800000000 ] - [ 0.0000654600000000, 0.0000923600000000, -0.0000539200000000 ] - [ -0.0002730200000000, 0.0001694500000000, -0.0002323200000000 ] - [ 0.0001313900000000, -0.0009455500000000, -0.0003647400000000 ] - [ 0.0001952000000000, -0.0010233700000000, -0.0003476100000000 ] - [ 0.0006610300000000, 0.0038886800000000, 0.0002008000000000 ] - [ 0.0002860200000000, 0.0007457900000000, 0.0002159000000000 ] - [ 0.0000910900000000, -0.0004153400000000, -0.0004429500000000 ] - [ -0.0002362400000000, 0.0017774600000000, 0.0010303000000000 ] - [ -0.0000569800000000, -0.0008404300000000, 0.0000876000000000 ] - [ -0.0000721100000000, -0.0004427200000000, 0.0001960100000000 ] - [ -0.0020947900000000, -0.0065830100000000, 0.0056235200000000 ] - [ 0.0017040700000000, 0.0003339300000000, 0.0019561800000000 ] - [ 0.0001466800000000, 0.0005905500000000, 0.0013137700000000 ] - [ 0.0008123500000000, 0.0002371900000000, 0.0006103600000000 ] - [ 0.0007649700000000, 0.0010667400000000, -0.0010470800000000 ] - [ -0.0090736100000000, 0.0022740800000000, -0.0025412500000000 ] - [ -0.0000873600000000, -0.0005362400000000, 0.0001191700000000 ] - [ -0.0001510800000000, -0.0000773600000000, -0.0000736200000000 ] - [ -0.0002124500000000, -0.0002574500000000, -0.0002338300000000 ] - [ -0.0002372400000000, -0.0002624300000000, -0.0002432000000000 ] - [ -0.0018039800000000, 0.0008069700000000, -0.0012081100000000 ] - [ 0.0000037400000000, 0.0001622000000000, -0.0001339500000000 ] - [ 0.0006927700000000, -0.0006710100000000, -0.0004412100000000 ] - [ 0.0001246500000000, -0.0004020800000000, -0.0003755300000000 ] - [ 0.0001618100000000, 0.0004276000000000, -0.0003322500000000 ] - [ 0.0002171700000000, 0.0003803500000000, -0.0002964200000000 ] - [ -0.0001897800000000, -0.0002849800000000, 0.0002728700000000 ] - [ -0.0000650600000000, 0.0000497800000000, 0.0001904600000000 ] - [ -0.0040772200000000, -0.0114763400000000, -0.0006744200000000 ] - [ 0.0000244300000000, 0.0001250400000000, 0.0001203000000000 ] - [ 0.0007494900000000, -0.0004112500000000, 0.0005940400000000 ] - [ 0.0007477800000000, -0.0004831600000000, 0.0006874500000000 ] - [ 0.0007880400000000, -0.0000258300000000, 0.0002418900000000 ] - [ 0.0007381300000000, 0.0000710200000000, 0.0003683500000000 ] - [ -0.0001539500000000, -0.0000331200000000, -0.0000894900000000 ] - [ -0.0001008800000000, -0.0000630500000000, -0.0001359800000000 ] - [ 0.0007898500000000, -0.0007272600000000, -0.0017796100000000 ] - [ -0.0000654900000000, 0.0000684100000000, -0.0001374700000000 ] - [ 0.1693174800000000, -0.1375480100000000, 0.0811160800000000 ] - [ -0.0008755100000000, -0.0002696500000000, 0.0005204300000000 ] - [ 0.0083407700000000, -0.0102796700000000, 0.0054853600000000 ] - [ -0.0011886400000000, -0.0004878200000000, 0.0009092100000000 ] - [ -0.0006870100000000, 0.0015256400000000, 0.0003315200000000 ] - [ -0.0002036500000000, 0.0005706600000000, 0.0003095800000000 ] - [ -0.0019499900000000, -0.0008809600000000, 0.0040134500000000 ] - [ -0.0003990700000000, -0.0037298100000000, 0.0087437900000000 ] - [ 0.0002597600000000, -0.0003969500000000, -0.0000111300000000 ] - [ 0.0006008600000000, -0.0000759900000000, 0.0002943100000000 ] - [ 0.0011392600000000, 0.0001267200000000, 0.0001340900000000 ] - [ -0.0067568400000000, 0.0000759300000000, -0.0006712000000000 ] - [ -0.0192760200000000, 0.0277094400000000, -0.0025901000000000 ] - [ 0.0003488300000000, -0.0000830500000000, -0.0002278200000000 ] - [ -0.0015086100000000, -0.0013233600000000, 0.0007536300000000 ] - [ 0.0015540100000000, -0.0004146000000000, 0.0000565600000000 ] - [ -0.0053972800000000, 0.0117476400000000, -0.0223457200000000 ] - [ -0.0008093600000000, -0.0001897000000000, -0.0016612300000000 ] - [ -0.0007806700000000, 0.0000741400000000, -0.0004287200000000 ] - [ 0.0009813500000000, -0.0005437100000000, -0.0005158400000000 ] - [ -0.0008472300000000, 0.0036982800000000, -0.0013708400000000 ] - [ -0.0029253700000000, -0.0053542100000000, -0.0018914600000000 ] - [ -0.0000822700000000, 0.0001260300000000, 0.0000281400000000 ] - [ -0.0000963100000000, -0.0012299500000000, -0.0006539400000000 ] - [ -0.0003944000000000, 0.0012280200000000, -0.0002227200000000 ] - [ -0.0001902100000000, 0.0008575000000000, -0.0002335400000000 ] - [ -0.0004528600000000, 0.0006441700000000, 0.0006335400000000 ] - [ -0.0002958900000000, 0.0005896500000000, 0.0004426400000000 ] - [ 0.0019541400000000, 0.0119199500000000, 0.0014910700000000 ] - [ -0.0004948300000000, 0.0001159900000000, 0.0003663800000000 ] - [ -0.0002166700000000, 0.0000751100000000, 0.0003537300000000 ] - [ -0.0003023700000000, -0.0001473800000000, 0.0003930200000000 ] - [ 0.0009281900000000, -0.0026213700000000, 0.0005453200000000 ] - [ 0.0002107100000000, -0.0006509200000000, -0.0004031100000000 ] - [ 0.0003834000000000, 0.0009724400000000, 0.0000665400000000 ] - [ 0.0004511400000000, 0.0009697900000000, 0.0000689100000000 ] - [ -0.0001404000000000, 0.0010555900000000, 0.0002275800000000 ] - [ 0.0001425600000000, 0.0006050300000000, 0.0001133500000000 ] - [ 0.0004395100000000, -0.0000432900000000, 0.0003316800000000 ] - [ 0.0000092600000000, -0.0002299400000000, -0.0001717500000000 ] - [ -0.0001621000000000, 0.0007799800000000, -0.0003142800000000 ] - [ -0.0001340300000000, 0.0007890800000000, -0.0004435000000000 ] - [ 0.0000818600000000, -0.0004325800000000, 0.0000127400000000 ] - [ -0.0004419600000000, -0.0001055800000000, -0.0005510000000000 ] - [ -0.0005549900000000, 0.0003582000000000, 0.0008880400000000 ] - [ -0.0003487400000000, 0.0001427200000000, 0.0003069800000000 ] - [ -0.0001914600000000, 0.0005503000000000, 0.0011586000000000 ] - [ -0.0001964600000000, -0.0012772600000000, -0.0005291000000000 ] - [ -0.1408973000000000, 0.1119936200000000, -0.0685748200000000 ] - [ 0.0009756800000000, 0.0005965800000000, 0.0006333400000000 ] - [ 0.0022349500000000, -0.0010583100000000, -0.0008647700000000 ] - [ -0.0035374200000000, 0.0035589900000000, 0.0010210000000000 ] - [ 0.0003248900000000, -0.0019506400000000, -0.0002923100000000 ] - [ -0.0001505600000000, -0.0015612800000000, -0.0001412800000000 ] - [ -0.0008003800000000, -0.0000667000000000, -0.0013112800000000 ] - [ 0.0001433900000000, 0.0008442200000000, 0.0005928700000000 ] - [ 0.0104643100000000, 0.0056130800000000, -0.0016590300000000 ] - [ -0.0006160300000000, 0.0002433600000000, -0.0002350000000000 ] - [ -0.0002941500000000, -0.0001305300000000, -0.0008133400000000 ] - [ 0.0013090600000000, -0.0033804500000000, -0.0043971000000000 ] - [ -0.0000321900000000, -0.0006285400000000, -0.0004157200000000 ] - [ 0.0001265000000000, -0.0003301600000000, -0.0003700300000000 ] - [ 0.0003535600000000, -0.0001018400000000, -0.0004971700000000 ] - [ 0.0002778100000000, -0.0013282300000000, 0.0009815500000000 ]- atom: 41 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002854100000000, 0.0006591600000000, -0.0003580800000000 ] - [ -0.0017630100000000, 0.0014761300000000, -0.0000609000000000 ] - [ -0.0003039000000000, -0.0004803500000000, -0.0000551100000000 ] - [ -0.0000550400000000, -0.0000534000000000, -0.0002057900000000 ] - [ 0.0002536400000000, -0.0029304400000000, -0.0004479400000000 ] - [ 0.0001639100000000, -0.0018908400000000, -0.0003285800000000 ] - [ -0.0004323400000000, 0.0047727500000000, -0.0016004300000000 ] - [ 0.0006354500000000, 0.0024161400000000, 0.0004738300000000 ] - [ 0.0007145400000000, 0.0018192000000000, -0.0012714400000000 ] - [ -0.0005383400000000, -0.0008509400000000, 0.0013881900000000 ] - [ 0.0001634800000000, -0.0024923000000000, -0.0000231000000000 ] - [ 0.0000897100000000, -0.0018717800000000, 0.0000901700000000 ] - [ 0.0011308400000000, -0.0001324300000000, 0.0012411800000000 ] - [ 0.0007630900000000, 0.0033149800000000, -0.0020016200000000 ] - [ 0.0001056600000000, -0.0062277500000000, -0.0062872200000000 ] - [ 0.0007442000000000, 0.0009560000000000, 0.0012011400000000 ] - [ 0.0003222900000000, 0.0009054100000000, -0.0007052500000000 ] - [ -0.0057201200000000, 0.0062357500000000, 0.0099403500000000 ] - [ 0.0002537500000000, -0.0008876200000000, -0.0002900800000000 ] - [ 0.0000887300000000, -0.0002621500000000, -0.0007513500000000 ] - [ -0.0002593500000000, -0.0006226200000000, -0.0002157100000000 ] - [ -0.0003884800000000, -0.0007179500000000, -0.0003533900000000 ] - [ -0.0038354800000000, -0.0006041700000000, -0.0036269000000000 ] - [ -0.0000279600000000, 0.0001345400000000, 0.0000831400000000 ] - [ 0.0005892200000000, -0.0005605300000000, 0.0002416700000000 ] - [ 0.0002564200000000, 0.0001193500000000, -0.0003099900000000 ] - [ 0.0002484200000000, -0.0012240200000000, -0.0002833700000000 ] - [ 0.0001775400000000, -0.0007917500000000, -0.0003082900000000 ] - [ -0.0003304600000000, -0.0018733500000000, 0.0004286300000000 ] - [ -0.0003595700000000, -0.0016160800000000, 0.0002947000000000 ] - [ 0.0062204600000000, -0.0171870600000000, 0.0019760200000000 ] - [ -0.0003432800000000, 0.0014345000000000, 0.0004190400000000 ] - [ 0.0008247100000000, -0.0012594800000000, 0.0012165100000000 ] - [ 0.0008390200000000, -0.0017541800000000, 0.0016876200000000 ] - [ 0.0008112200000000, -0.0012501300000000, -0.0005881700000000 ] - [ 0.0007616700000000, -0.0004918200000000, 0.0000501500000000 ] - [ -0.0003416300000000, -0.0004308300000000, 0.0003232400000000 ] - [ -0.0003212900000000, -0.0005022900000000, 0.0002924100000000 ] - [ 0.0030148900000000, 0.0002289300000000, -0.0068859200000000 ] - [ -0.0003988300000000, -0.0000210200000000, 0.0007015800000000 ] - [ 0.1391631100000000, -0.2712991200000000, 0.1243114400000000 ] - [ 0.0005695900000000, -0.0024768900000000, 0.0002024400000000 ] - [ -0.0035140600000000, 0.0330430200000000, -0.0259162200000000 ] - [ -0.0009066300000000, -0.0023758100000000, 0.0013158900000000 ] - [ -0.0007336000000000, 0.0027877500000000, 0.0005948400000000 ] - [ -0.0007120900000000, 0.0019374500000000, 0.0001989500000000 ] - [ -0.0017853300000000, -0.0039362100000000, 0.0018439300000000 ] - [ 0.0061760500000000, -0.0033916900000000, -0.0129040300000000 ] - [ 0.0006049900000000, 0.0018125400000000, -0.0001968100000000 ] - [ 0.0004229400000000, 0.0010396500000000, 0.0004852900000000 ] - [ 0.0003914900000000, -0.0011793100000000, -0.0000337700000000 ] - [ 0.0002806100000000, -0.0033798800000000, 0.0000833900000000 ] - [ -0.0227656200000000, 0.0088651400000000, -0.0036468100000000 ] - [ 0.0008775200000000, -0.0018999100000000, -0.0014348500000000 ] - [ 0.0012582300000000, 0.0000025200000000, -0.0019815200000000 ] - [ -0.0001704200000000, -0.0012242800000000, 0.0027376900000000 ] - [ -0.0014586000000000, -0.0087142200000000, -0.0010098800000000 ] - [ -0.0005438100000000, -0.0031028800000000, -0.0000390700000000 ] - [ -0.0004035200000000, 0.0002364600000000, -0.0021148400000000 ] - [ 0.0008630100000000, 0.0031959100000000, 0.0050895800000000 ] - [ -0.0007920200000000, -0.0014014100000000, -0.0011992700000000 ] - [ 0.0008340000000000, 0.0005280400000000, 0.0049221800000000 ] - [ -0.0009470900000000, 0.0016323500000000, -0.0013023600000000 ] - [ 0.0004309300000000, 0.0016302400000000, 0.0014868400000000 ] - [ -0.0009309800000000, 0.0035443200000000, -0.0006685100000000 ] - [ -0.0005640200000000, 0.0028006700000000, -0.0007639000000000 ] - [ -0.0001098200000000, 0.0026468600000000, 0.0006793300000000 ] - [ 0.0001018600000000, 0.0023009300000000, -0.0002471100000000 ] - [ -0.0066782600000000, 0.0371381300000000, 0.0045322600000000 ] - [ -0.0002097600000000, -0.0005781600000000, -0.0001797700000000 ] - [ 0.0000119400000000, 0.0016415200000000, 0.0002195900000000 ] - [ 0.0000741000000000, 0.0014576000000000, 0.0002778800000000 ] - [ 0.0026379100000000, -0.0022472200000000, 0.0031977700000000 ] - [ -0.0001805800000000, -0.0014165000000000, -0.0011456300000000 ] - [ 0.0004045300000000, 0.0022032000000000, -0.0001015600000000 ] - [ 0.0004214300000000, 0.0030176600000000, 0.0000633100000000 ] - [ -0.0008353500000000, 0.0032890200000000, 0.0008760100000000 ] - [ -0.0000789800000000, 0.0017914500000000, 0.0003924800000000 ] - [ 0.0004341500000000, 0.0012574800000000, 0.0008868800000000 ] - [ 0.0004921000000000, 0.0011203400000000, -0.0009956300000000 ] - [ 0.0000360500000000, 0.0026812700000000, -0.0001335500000000 ] - [ -0.0000823300000000, 0.0024197900000000, -0.0008811100000000 ] - [ 0.0002399200000000, -0.0001693300000000, 0.0007327700000000 ] - [ -0.0005829300000000, 0.0009758300000000, -0.0007531700000000 ] - [ -0.0008895300000000, 0.0019318400000000, 0.0012352400000000 ] - [ -0.0003878100000000, 0.0023898000000000, 0.0001524300000000 ] - [ -0.0009597000000000, 0.0009442200000000, 0.0043257400000000 ] - [ 0.0008441000000000, 0.0009521800000000, -0.0012409400000000 ] - [ -0.1136154700000000, 0.2114288900000000, -0.0948874200000000 ] - [ -0.0009156400000000, 0.0041668700000000, 0.0003631200000000 ] - [ 0.0001268000000000, -0.0000844600000000, 0.0035544200000000 ] - [ -0.0010329600000000, -0.0008172100000000, -0.0058682400000000 ] - [ 0.0009121600000000, -0.0057455500000000, -0.0007281000000000 ] - [ -0.0000002800000000, -0.0044209600000000, 0.0003378300000000 ] - [ -0.0009373700000000, -0.0025398400000000, -0.0032586600000000 ] - [ -0.0009402700000000, -0.0023480900000000, 0.0012724600000000 ] - [ 0.0011359500000000, 0.0140692500000000, -0.0015773800000000 ] - [ 0.0005394400000000, 0.0049811900000000, 0.0011945000000000 ] - [ -0.0010656400000000, -0.0028736000000000, 0.0058742100000000 ] - [ 0.0005825000000000, -0.0035339300000000, -0.0051244200000000 ] - [ -0.0000975200000000, -0.0035559000000000, -0.0005807900000000 ] - [ 0.0001242800000000, -0.0024657600000000, -0.0001987800000000 ] - [ 0.0001117100000000, -0.0016897300000000, -0.0015127800000000 ] - [ 0.0012562700000000, -0.0044790300000000, 0.0040952700000000 ]- atom: 41 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001144400000000, -0.0010042600000000, -0.0000850700000000 ] - [ 0.0013519300000000, -0.0018236300000000, -0.0003807600000000 ] - [ -0.0000984300000000, 0.0008250500000000, -0.0003823400000000 ] - [ -0.0003442100000000, 0.0003988200000000, -0.0002300600000000 ] - [ 0.0001069000000000, 0.0014645800000000, -0.0002347500000000 ] - [ 0.0001958100000000, 0.0004304500000000, -0.0003530200000000 ] - [ 0.0007892400000000, -0.0033418100000000, 0.0009183700000000 ] - [ -0.0002761600000000, -0.0009587000000000, -0.0011594900000000 ] - [ -0.0009299100000000, -0.0015469800000000, 0.0017076200000000 ] - [ 0.0003361400000000, 0.0011141200000000, -0.0009792200000000 ] - [ -0.0003768300000000, 0.0022076700000000, 0.0004551700000000 ] - [ -0.0003029800000000, 0.0015817800000000, 0.0003416400000000 ] - [ 0.0003659900000000, -0.0001936500000000, -0.0004143900000000 ] - [ 0.0007049500000000, -0.0037098100000000, 0.0028989300000000 ] - [ 0.0013558600000000, 0.0065970200000000, 0.0071425100000000 ] - [ 0.0007153300000000, -0.0005550200000000, -0.0003080700000000 ] - [ -0.0005077300000000, -0.0007915100000000, 0.0003238300000000 ] - [ 0.0055759300000000, -0.0062836400000000, -0.0102684100000000 ] - [ -0.0004364900000000, 0.0007827400000000, -0.0000852200000000 ] - [ -0.0002741100000000, 0.0001576900000000, 0.0003813100000000 ] - [ -0.0001404900000000, 0.0002794200000000, -0.0002205700000000 ] - [ -0.0000096100000000, 0.0003759300000000, -0.0000820300000000 ] - [ 0.0034717200000000, 0.0009399700000000, 0.0032236100000000 ] - [ -0.0003741700000000, 0.0002093400000000, -0.0005213800000000 ] - [ -0.0002339000000000, -0.0009176300000000, -0.0009260200000000 ] - [ 0.0001040600000000, -0.0015927400000000, -0.0003715700000000 ] - [ 0.0001124100000000, 0.0026908200000000, -0.0003986000000000 ] - [ 0.0001826800000000, 0.0022596100000000, -0.0003745000000000 ] - [ 0.0001185400000000, 0.0021687800000000, 0.0000028700000000 ] - [ 0.0001473400000000, 0.0019150800000000, 0.0001364600000000 ] - [ -0.0064646900000000, 0.0167634300000000, -0.0016164300000000 ] - [ 0.0001304300000000, -0.0017325800000000, 0.0000122200000000 ] - [ 0.0006354900000000, 0.0008631800000000, -0.0003252100000000 ] - [ 0.0006211400000000, 0.0013625600000000, -0.0008020300000000 ] - [ 0.0006473700000000, 0.0016495800000000, 0.0014796500000000 ] - [ 0.0006984500000000, 0.0008878700000000, 0.0008391300000000 ] - [ 0.0001577000000000, 0.0005379000000000, -0.0006961000000000 ] - [ 0.0001367700000000, 0.0006101600000000, -0.0006666000000000 ] - [ -0.0032099200000000, -0.0003618600000000, 0.0065535000000000 ] - [ 0.0002158900000000, -0.0000882400000000, -0.0010786900000000 ] - [ -0.1326310900000000, 0.2664551000000000, -0.1181881100000000 ] - [ -0.0008624000000000, 0.0033805100000000, -0.0004619500000000 ] - [ 0.0026120600000000, -0.0319935700000000, 0.0265269400000000 ] - [ 0.0000152300000000, 0.0027678100000000, -0.0000605900000000 ] - [ 0.0001190400000000, -0.0021374700000000, 0.0001917800000000 ] - [ 0.0000956100000000, -0.0012801100000000, 0.0005798900000000 ] - [ 0.0011634900000000, 0.0032909600000000, -0.0010393300000000 ] - [ -0.0067951000000000, 0.0028430300000000, 0.0136623900000000 ] - [ 0.0001831500000000, -0.0031041200000000, 0.0003342200000000 ] - [ 0.0003622700000000, -0.0023356000000000, -0.0003483700000000 ] - [ 0.0003926500000000, 0.0024812400000000, 0.0001747200000000 ] - [ 0.0005228100000000, 0.0046939300000000, 0.0000534800000000 ] - [ 0.0227191800000000, -0.0080460800000000, 0.0037429900000000 ] - [ -0.0005837900000000, 0.0026846800000000, 0.0015604100000000 ] - [ -0.0009546700000000, -0.0008104500000000, 0.0021180700000000 ] - [ 0.0004595300000000, 0.0004192100000000, -0.0026052900000000 ] - [ 0.0012529200000000, 0.0093390600000000, 0.0005208500000000 ] - [ 0.0002396900000000, 0.0038776100000000, -0.0006422700000000 ] - [ 0.0001082300000000, -0.0010186100000000, 0.0014359000000000 ] - [ -0.0011627800000000, -0.0039670800000000, -0.0057405500000000 ] - [ -0.0001030400000000, 0.0009567300000000, 0.0024725400000000 ] - [ -0.0017155600000000, -0.0009415900000000, -0.0036643800000000 ] - [ 0.0006425100000000, -0.0025433700000000, 0.0010314500000000 ] - [ -0.0007264500000000, -0.0025457100000000, -0.0017538100000000 ] - [ 0.0006393400000000, -0.0026508100000000, 0.0004045100000000 ] - [ 0.0002677300000000, -0.0019021900000000, 0.0004993400000000 ] - [ -0.0007824500000000, -0.0022545400000000, 0.0005753900000000 ] - [ -0.0009980400000000, -0.0019082200000000, 0.0015102000000000 ] - [ 0.0061948100000000, -0.0374638600000000, -0.0037996900000000 ] - [ -0.0004053300000000, 0.0012477500000000, 0.0009658300000000 ] - [ -0.0006288100000000, -0.0023044900000000, 0.0005650700000000 ] - [ -0.0006885700000000, -0.0021243000000000, 0.0005072800000000 ] - [ -0.0018716200000000, 0.0009797300000000, -0.0030846900000000 ] - [ 0.0009707100000000, 0.0001377100000000, 0.0012911900000000 ] - [ 0.0003815200000000, -0.0009163400000000, 0.0002378900000000 ] - [ 0.0003624400000000, -0.0017305800000000, 0.0000731800000000 ] - [ 0.0011347800000000, -0.0025131500000000, -0.0007483700000000 ] - [ 0.0003718500000000, -0.0010028100000000, -0.0002625700000000 ] - [ -0.0001424200000000, -0.0020504300000000, -0.0007675900000000 ] - [ -0.0001956900000000, -0.0019098000000000, 0.0011315200000000 ] - [ -0.0003363400000000, -0.0019104600000000, -0.0005478600000000 ] - [ -0.0002190800000000, -0.0016526200000000, 0.0002070500000000 ] - [ -0.0005446300000000, -0.0005983000000000, -0.0014166700000000 ] - [ 0.0002867600000000, -0.0017471300000000, 0.0000819100000000 ] - [ -0.0000029700000000, -0.0023309600000000, 0.0000194300000000 ] - [ -0.0005115900000000, -0.0027900000000000, 0.0011151300000000 ] - [ 0.0006728600000000, -0.0018437700000000, -0.0046237300000000 ] - [ -0.0011415300000000, -0.0018356100000000, 0.0009875400000000 ] - [ 0.1066128100000000, -0.2070211900000000, 0.0886933800000000 ] - [ 0.0007451300000000, -0.0060899300000000, -0.0007916600000000 ] - [ -0.0002962300000000, 0.0020533000000000, -0.0039758900000000 ] - [ 0.0008583200000000, 0.0027913800000000, 0.0054277100000000 ] - [ -0.0010859100000000, 0.0038222400000000, 0.0003019400000000 ] - [ -0.0001630500000000, 0.0024894200000000, -0.0007722800000000 ] - [ 0.0007770200000000, 0.0044811900000000, 0.0028464500000000 ] - [ 0.0007767700000000, 0.0042795000000000, -0.0017243700000000 ] - [ -0.0008908400000000, -0.0137950400000000, 0.0007894600000000 ] - [ -0.0003692800000000, -0.0047300900000000, -0.0019464400000000 ] - [ 0.0012308300000000, 0.0026315400000000, -0.0066099800000000 ] - [ -0.0004154800000000, 0.0033062300000000, 0.0043668000000000 ] - [ 0.0002679100000000, 0.0038095100000000, -0.0001783500000000 ] - [ 0.0000428600000000, 0.0027114700000000, -0.0005631000000000 ] - [ 0.0000549000000000, 0.0014429500000000, 0.0007576500000000 ] - [ -0.0010970000000000, 0.0042551600000000, -0.0048998500000000 ]- atom: 41 displacement: [ -0.0049439770564842, 0.0000000000000000, 0.0086923581877968 ] forces: - [ -0.0009710300000000, -0.0007108400000000, -0.0019565300000000 ] - [ 0.0039886600000000, 0.0009912600000000, 0.0019390600000000 ] - [ 0.0001691400000000, 0.0003442700000000, 0.0001323200000000 ] - [ -0.0003128700000000, 0.0001376100000000, -0.0005172000000000 ] - [ 0.0001292400000000, -0.0004461100000000, -0.0002493500000000 ] - [ 0.0001909300000000, -0.0004625000000000, -0.0004409600000000 ] - [ -0.0004221300000000, -0.0015589000000000, -0.0002600200000000 ] - [ -0.0003272500000000, 0.0009285300000000, -0.0007337500000000 ] - [ -0.0000045600000000, -0.0016679900000000, -0.0001242900000000 ] - [ -0.0005396000000000, 0.0066007400000000, 0.0018305400000000 ] - [ -0.0001026900000000, -0.0000817700000000, 0.0002025000000000 ] - [ -0.0001465200000000, 0.0000466000000000, 0.0002088600000000 ] - [ 0.0030269400000000, 0.0024076400000000, -0.0033038600000000 ] - [ 0.0002208400000000, -0.0012436600000000, 0.0009034200000000 ] - [ 0.0007620900000000, 0.0043696900000000, 0.0070197800000000 ] - [ 0.0006438900000000, -0.0008601400000000, -0.0008160500000000 ] - [ 0.0004590000000000, 0.0013365700000000, -0.0028349600000000 ] - [ 0.0044516400000000, 0.0075600000000000, -0.0169959900000000 ] - [ -0.0003884800000000, -0.0000094600000000, 0.0006091800000000 ] - [ -0.0000509000000000, -0.0002530100000000, -0.0005580400000000 ] - [ -0.0002192900000000, -0.0001008800000000, -0.0002946200000000 ] - [ -0.0001402800000000, -0.0001170900000000, -0.0001246400000000 ] - [ -0.0004483500000000, -0.0001168100000000, 0.0004599600000000 ] - [ -0.0002290300000000, 0.0003147900000000, -0.0007961900000000 ] - [ 0.0003498600000000, -0.0000070600000000, 0.0000265200000000 ] - [ 0.0001139000000000, -0.0008939400000000, -0.0008118200000000 ] - [ 0.0001161200000000, 0.0011499000000000, -0.0003586800000000 ] - [ 0.0001919100000000, 0.0007514400000000, -0.0002849500000000 ] - [ -0.0000594900000000, 0.0007402700000000, 0.0001912900000000 ] - [ -0.0000842600000000, 0.0000399600000000, 0.0002015600000000 ] - [ -0.0018804000000000, -0.0004093000000000, 0.0060046600000000 ] - [ 0.0001422900000000, -0.0003199700000000, -0.0005549000000000 ] - [ 0.0007378100000000, -0.0001878600000000, 0.0004145900000000 ] - [ 0.0006968000000000, 0.0001490600000000, 0.0001975700000000 ] - [ 0.0007225300000000, 0.0005507400000000, 0.0011205300000000 ] - [ 0.0007059400000000, 0.0001596700000000, 0.0000507200000000 ] - [ -0.0000272300000000, 0.0001304400000000, -0.0004086700000000 ] - [ -0.0000915000000000, 0.0000924400000000, -0.0000881900000000 ] - [ 0.0001452900000000, -0.0010819300000000, -0.0000308300000000 ] - [ 0.0002322900000000, 0.0002975600000000, -0.0010438700000000 ] - [ 0.0135356700000000, 0.0389477300000000, -0.0915220800000000 ] - [ -0.0010573400000000, 0.0003777000000000, 0.0031460500000000 ] - [ 0.0058101900000000, -0.0289616900000000, 0.0043246200000000 ] - [ -0.0008646900000000, 0.0012808500000000, 0.0022022000000000 ] - [ -0.0004429100000000, 0.0007084200000000, -0.0003327400000000 ] - [ -0.0001671400000000, 0.0000956400000000, 0.0010675100000000 ] - [ -0.0023024300000000, 0.0000110900000000, 0.0055104400000000 ] - [ -0.0156555200000000, -0.0109471800000000, 0.0313339200000000 ] - [ 0.0001664000000000, -0.0014932000000000, -0.0000672500000000 ] - [ 0.0005408100000000, -0.0002999300000000, 0.0003366200000000 ] - [ 0.0011193200000000, 0.0009926500000000, 0.0022681500000000 ] - [ -0.0038558500000000, 0.0003900700000000, -0.0034405200000000 ] - [ -0.0158283300000000, 0.0195198800000000, -0.0109200100000000 ] - [ -0.0003114700000000, 0.0012890400000000, 0.0021998300000000 ] - [ -0.0009011200000000, -0.0020037800000000, 0.0008496800000000 ] - [ 0.0012803000000000, 0.0019253700000000, -0.0002804200000000 ] - [ 0.0145507000000000, -0.0065950700000000, 0.0073530100000000 ] - [ 0.0007247700000000, 0.0015928400000000, 0.0012996000000000 ] - [ 0.0002650400000000, -0.0004673100000000, 0.0014028100000000 ] - [ -0.0004570200000000, -0.0017217800000000, -0.0054141300000000 ] - [ -0.0003197100000000, -0.0016510700000000, 0.0033919300000000 ] - [ -0.0004707200000000, 0.0007753300000000, -0.0011836200000000 ] - [ 0.0003481200000000, -0.0015599400000000, -0.0000374500000000 ] - [ -0.0002478800000000, 0.0001848800000000, -0.0003806300000000 ] - [ -0.0001802400000000, 0.0003499700000000, -0.0002963500000000 ] - [ -0.0000681700000000, 0.0000857500000000, 0.0001901900000000 ] - [ -0.0005084400000000, -0.0000435400000000, 0.0002260600000000 ] - [ -0.0004681000000000, -0.0001121200000000, 0.0010444700000000 ] - [ 0.0006671000000000, 0.0037673900000000, -0.0039076500000000 ] - [ -0.0004148000000000, 0.0002143300000000, 0.0016047700000000 ] - [ -0.0003549200000000, -0.0007895600000000, 0.0004814500000000 ] - [ -0.0003589600000000, -0.0003363800000000, 0.0003254200000000 ] - [ 0.0007701000000000, 0.0009154400000000, -0.0002701900000000 ] - [ 0.0007272300000000, -0.0013092000000000, 0.0006033300000000 ] - [ 0.0004094900000000, 0.0003488900000000, 0.0002747600000000 ] - [ 0.0004121000000000, 0.0003628600000000, -0.0000841600000000 ] - [ 0.0001920000000000, 0.0001886300000000, -0.0003329100000000 ] - [ 0.0001368000000000, 0.0002718500000000, 0.0003729000000000 ] - [ 0.0003333400000000, -0.0000745100000000, 0.0002137300000000 ] - [ -0.0005309100000000, -0.0012630400000000, 0.0000958700000000 ] - [ -0.0002825700000000, 0.0000395400000000, -0.0005598000000000 ] - [ -0.0000961900000000, 0.0001752700000000, -0.0000332700000000 ] - [ 0.0000440600000000, -0.0002992400000000, 0.0004359800000000 ] - [ -0.0005173600000000, -0.0009910400000000, -0.0013743700000000 ] - [ -0.0005021600000000, 0.0000899700000000, 0.0010925400000000 ] - [ -0.0001947000000000, -0.0013528000000000, -0.0001948000000000 ] - [ 0.0001838100000000, 0.0010236100000000, 0.0002455800000000 ] - [ -0.0012880200000000, -0.0047490000000000, -0.0005942300000000 ] - [ -0.0121061600000000, -0.0258924700000000, 0.0688739600000000 ] - [ 0.0003878900000000, -0.0022683300000000, -0.0043100300000000 ] - [ -0.0005920200000000, 0.0028530500000000, -0.0018108500000000 ] - [ -0.0007273000000000, -0.0025264500000000, 0.0028950300000000 ] - [ 0.0000561400000000, -0.0006199400000000, 0.0002998000000000 ] - [ -0.0001420400000000, -0.0004051300000000, -0.0008295200000000 ] - [ -0.0006817100000000, 0.0001296000000000, -0.0015405300000000 ] - [ 0.0014028000000000, 0.0034678700000000, 0.0018278200000000 ] - [ 0.0066616600000000, 0.0012341900000000, 0.0074810400000000 ] - [ -0.0009368400000000, -0.0031522200000000, -0.0063830500000000 ] - [ 0.0007875900000000, 0.0015971500000000, -0.0040969700000000 ] - [ 0.0005354000000000, -0.0031010200000000, -0.0017662600000000 ] - [ -0.0000118400000000, 0.0003565100000000, 0.0001072300000000 ] - [ 0.0001221400000000, 0.0005764500000000, -0.0008919900000000 ] - [ 0.0000589800000000, -0.0005686100000000, -0.0011981400000000 ] - [ -0.0001356400000000, 0.0008457700000000, 0.0007509200000000 ]- atom: 41 displacement: [ 0.0049439770564842, 0.0000000000000000, -0.0086923581877968 ] forces: - [ 0.0005686400000000, 0.0003631900000000, 0.0015110300000000 ] - [ -0.0043598300000000, -0.0013370200000000, -0.0023423300000000 ] - [ -0.0005775200000000, 0.0000020500000000, -0.0005790900000000 ] - [ -0.0000968600000000, 0.0002067600000000, 0.0000694800000000 ] - [ 0.0002324800000000, -0.0010049200000000, -0.0004301400000000 ] - [ 0.0001710200000000, -0.0009921000000000, -0.0002391500000000 ] - [ 0.0007793600000000, 0.0029884100000000, -0.0004254500000000 ] - [ 0.0006854500000000, 0.0005264400000000, 0.0000529400000000 ] - [ -0.0002128700000000, 0.0019780000000000, 0.0005569200000000 ] - [ 0.0003034400000000, -0.0062457900000000, -0.0013529300000000 ] - [ -0.0001131300000000, -0.0002159000000000, 0.0002292400000000 ] - [ -0.0000690200000000, -0.0003445400000000, 0.0002219400000000 ] - [ -0.0015433500000000, -0.0027370400000000, 0.0041290100000000 ] - [ 0.0012395000000000, 0.0008360100000000, -0.0000015600000000 ] - [ 0.0006982700000000, -0.0039563800000000, -0.0061257000000000 ] - [ 0.0008147800000000, 0.0012396400000000, 0.0016898400000000 ] - [ -0.0006469200000000, -0.0012388000000000, 0.0024644300000000 ] - [ -0.0047165600000000, -0.0073106100000000, 0.0166412600000000 ] - [ 0.0001975600000000, -0.0000958800000000, -0.0009742200000000 ] - [ -0.0001379300000000, 0.0001432300000000, 0.0001924300000000 ] - [ -0.0001891500000000, -0.0002415600000000, -0.0001521000000000 ] - [ -0.0002678200000000, -0.0002252200000000, -0.0003208800000000 ] - [ 0.0000414200000000, 0.0004584500000000, -0.0009055600000000 ] - [ -0.0001777100000000, 0.0000312400000000, 0.0003471300000000 ] - [ 0.0000107500000000, -0.0014497800000000, -0.0007036900000000 ] - [ 0.0002464500000000, -0.0005608000000000, 0.0001278000000000 ] - [ 0.0002455000000000, 0.0003152500000000, -0.0003215700000000 ] - [ 0.0001697000000000, 0.0007107700000000, -0.0003951200000000 ] - [ -0.0001545100000000, -0.0004292000000000, 0.0002383500000000 ] - [ -0.0001299500000000, 0.0002703800000000, 0.0002286400000000 ] - [ 0.0016886200000000, 0.0002099500000000, -0.0055083000000000 ] - [ -0.0003540900000000, 0.0000145100000000, 0.0009792700000000 ] - [ 0.0007221500000000, -0.0001968500000000, 0.0004657800000000 ] - [ 0.0007628200000000, -0.0005318900000000, 0.0006820100000000 ] - [ 0.0007372500000000, -0.0001577600000000, -0.0002315300000000 ] - [ 0.0007537700000000, 0.0002324200000000, 0.0008330700000000 ] - [ -0.0001602500000000, -0.0000192700000000, 0.0000394100000000 ] - [ -0.0000972600000000, 0.0000185400000000, -0.0002775800000000 ] - [ -0.0003295100000000, 0.0009791500000000, -0.0003447300000000 ] - [ -0.0004181700000000, -0.0004000700000000, 0.0006716500000000 ] - [ -0.0138874600000000, -0.0374338800000000, 0.0892250700000000 ] - [ 0.0007559700000000, 0.0005174000000000, -0.0033868400000000 ] - [ -0.0067501000000000, 0.0295565800000000, -0.0029766900000000 ] - [ -0.0000341900000000, -0.0008601000000000, -0.0009383800000000 ] - [ -0.0001692800000000, -0.0000413600000000, 0.0011140800000000 ] - [ -0.0004477400000000, 0.0005732500000000, -0.0002827200000000 ] - [ 0.0017254500000000, -0.0006789800000000, -0.0047780700000000 ] - [ 0.0146363600000000, 0.0100009900000000, -0.0297001500000000 ] - [ 0.0006368800000000, 0.0002220200000000, 0.0002220200000000 ] - [ 0.0002618300000000, -0.0009681600000000, -0.0001855200000000 ] - [ -0.0003171600000000, 0.0002748200000000, -0.0021056300000000 ] - [ 0.0046459100000000, 0.0008798500000000, 0.0035640100000000 ] - [ 0.0161183600000000, -0.0186717900000000, 0.0109800000000000 ] - [ 0.0006384200000000, -0.0005065000000000, -0.0020835000000000 ] - [ 0.0012349700000000, 0.0012413800000000, -0.0007424600000000 ] - [ -0.0009437200000000, -0.0026769900000000, 0.0003692300000000 ] - [ -0.0149929300000000, 0.0072518300000000, -0.0079038700000000 ] - [ -0.0010535400000000, -0.0008497200000000, -0.0019767200000000 ] - [ -0.0005878900000000, -0.0002598100000000, -0.0020640000000000 ] - [ 0.0001209900000000, 0.0009902300000000, 0.0047272700000000 ] - [ -0.0005750600000000, 0.0012264000000000, -0.0020928700000000 ] - [ -0.0004300600000000, -0.0011763100000000, 0.0024249300000000 ] - [ -0.0006341900000000, 0.0006747200000000, -0.0002049100000000 ] - [ -0.0000424200000000, -0.0010678500000000, 0.0001273100000000 ] - [ -0.0001097800000000, 0.0005184300000000, 0.0000519700000000 ] - [ -0.0002223600000000, 0.0007843400000000, -0.0004333800000000 ] - [ -0.0003920800000000, 0.0004344100000000, 0.0010383800000000 ] - [ -0.0004323700000000, 0.0005022100000000, 0.0002231100000000 ] - [ -0.0013086000000000, -0.0031129700000000, 0.0046971000000000 ] - [ -0.0002020100000000, 0.0004564000000000, -0.0008148900000000 ] - [ -0.0002618800000000, 0.0001092600000000, 0.0003030600000000 ] - [ -0.0002568200000000, -0.0003438500000000, 0.0004563900000000 ] - [ 0.0000355400000000, -0.0021630000000000, 0.0004268600000000 ] - [ 0.0000781200000000, 0.0000416900000000, -0.0004490300000000 ] - [ 0.0003937300000000, 0.0009110800000000, -0.0001209300000000 ] - [ 0.0003911500000000, 0.0008945500000000, 0.0002368700000000 ] - [ 0.0001414100000000, 0.0005722700000000, 0.0004343500000000 ] - [ 0.0001940000000000, 0.0004907800000000, -0.0002665800000000 ] - [ -0.0000049800000000, -0.0006962900000000, -0.0001048000000000 ] - [ 0.0008548000000000, 0.0004851500000000, 0.0000107500000000 ] - [ -0.0000482100000000, 0.0006791900000000, -0.0001125700000000 ] - [ -0.0002339400000000, 0.0005431100000000, -0.0006385000000000 ] - [ -0.0003732600000000, -0.0004299800000000, -0.0011053000000000 ] - [ 0.0001840500000000, 0.0002609000000000, 0.0006923400000000 ] - [ -0.0003963100000000, -0.0004937000000000, 0.0001731000000000 ] - [ -0.0007018800000000, 0.0009397300000000, 0.0014509900000000 ] - [ -0.0004782500000000, -0.0019081800000000, -0.0004895700000000 ] - [ 0.0009859400000000, 0.0038261300000000, 0.0003398300000000 ] - [ 0.0124404900000000, 0.0230552600000000, -0.0682801000000000 ] - [ -0.0005572400000000, 0.0003274400000000, 0.0038661800000000 ] - [ 0.0003882300000000, -0.0009347800000000, 0.0013668200000000 ] - [ 0.0005381000000000, 0.0044301900000000, -0.0032975400000000 ] - [ -0.0002398800000000, -0.0012704900000000, -0.0007355900000000 ] - [ -0.0000408900000000, -0.0014844800000000, 0.0003901100000000 ] - [ 0.0005019300000000, 0.0017826700000000, 0.0010990900000000 ] - [ -0.0015692800000000, -0.0015373000000000, -0.0022430000000000 ] - [ -0.0062884800000000, -0.0009216700000000, -0.0083269600000000 ] - [ 0.0010937900000000, 0.0033499800000000, 0.0055744300000000 ] - [ -0.0006067400000000, -0.0018395500000000, 0.0033025100000000 ] - [ -0.0003663000000000, 0.0028654300000000, 0.0010369800000000 ] - [ 0.0001821600000000, -0.0000950500000000, -0.0008695600000000 ] - [ 0.0000487100000000, -0.0003137700000000, 0.0001253400000000 ] - [ 0.0001094600000000, 0.0003203600000000, 0.0004265600000000 ] - [ 0.0003039900000000, -0.0010869400000000, -0.0015063700000000 ]- atom: 43 displacement: [ 0.0099998839938813, 0.0000000000000000, -0.0000481675089282 ] forces: - [ 0.0006797800000000, 0.0000425000000000, -0.0002073800000000 ] - [ -0.0006051900000000, -0.0014212700000000, 0.0003686900000000 ] - [ -0.0012504300000000, -0.0005468200000000, -0.0005881500000000 ] - [ 0.0000521800000000, 0.0001260400000000, -0.0000460300000000 ] - [ 0.0002924100000000, -0.0014782500000000, -0.0003468700000000 ] - [ 0.0000754300000000, -0.0008931700000000, -0.0003025400000000 ] - [ 0.0000848500000000, -0.0037671300000000, -0.0003332100000000 ] - [ 0.0002521600000000, 0.0009439900000000, -0.0002615400000000 ] - [ 0.0002287900000000, 0.0006366000000000, -0.0002101600000000 ] - [ -0.0002800300000000, -0.0002429500000000, 0.0001998400000000 ] - [ -0.0000425700000000, -0.0002538400000000, 0.0002466400000000 ] - [ -0.0000456100000000, -0.0006377400000000, 0.0000866900000000 ] - [ -0.0005274000000000, 0.0039808900000000, -0.0069581000000000 ] - [ 0.0005244900000000, 0.0010585300000000, -0.0003467400000000 ] - [ 0.0152716200000000, -0.0051139200000000, -0.0083006200000000 ] - [ 0.0006349400000000, 0.0007629300000000, 0.0009224600000000 ] - [ -0.0007609400000000, 0.0001058100000000, -0.0001063800000000 ] - [ 0.0001573900000000, -0.0005093400000000, 0.0002112500000000 ] - [ -0.0005596300000000, 0.0004661000000000, -0.0002376400000000 ] - [ -0.0001675700000000, 0.0000573400000000, -0.0000371500000000 ] - [ -0.0002780500000000, -0.0002322200000000, -0.0002255300000000 ] - [ -0.0002955500000000, -0.0002836100000000, -0.0003133100000000 ] - [ 0.0002037300000000, 0.0000311900000000, 0.0001625500000000 ] - [ -0.0002141700000000, 0.0001524800000000, -0.0002266800000000 ] - [ 0.0004416900000000, -0.0008908500000000, 0.0000158200000000 ] - [ 0.0002265100000000, -0.0008995900000000, -0.0003901600000000 ] - [ 0.0003836000000000, -0.0001581700000000, -0.0003519500000000 ] - [ 0.0001527500000000, 0.0005830300000000, -0.0004140800000000 ] - [ 0.0001309500000000, 0.0003097400000000, 0.0002772900000000 ] - [ -0.0002130200000000, -0.0000893100000000, 0.0002431900000000 ] - [ -0.0000381400000000, -0.0008401300000000, 0.0002813000000000 ] - [ -0.0002189700000000, 0.0000194900000000, 0.0001773900000000 ] - [ 0.0007616900000000, -0.0004796500000000, 0.0007101900000000 ] - [ 0.0007473100000000, -0.0004297600000000, 0.0005939800000000 ] - [ 0.0006733800000000, -0.0001188000000000, 0.0003164200000000 ] - [ 0.0007112000000000, -0.0000176500000000, 0.0002574300000000 ] - [ -0.0000764800000000, -0.0000640000000000, -0.0001249600000000 ] - [ -0.0001605100000000, -0.0000156800000000, -0.0001125500000000 ] - [ 0.0001237800000000, -0.0001520000000000, -0.0004446900000000 ] - [ -0.0001003000000000, -0.0001087500000000, -0.0001639000000000 ] - [ -0.0088353100000000, -0.0023853800000000, 0.0020558800000000 ] - [ 0.0006008600000000, -0.0000207600000000, -0.0001890800000000 ] - [ -0.1963415700000000, -0.1300980500000000, 0.0770496400000000 ] - [ 0.0002373100000000, -0.0001793400000000, 0.0000571800000000 ] - [ 0.0004236500000000, -0.0001035600000000, 0.0007337100000000 ] - [ -0.0008074800000000, 0.0011886000000000, -0.0005036500000000 ] - [ 0.0001912700000000, -0.0024815800000000, -0.0002480100000000 ] - [ -0.0003982200000000, 0.0003285700000000, -0.0000532900000000 ] - [ 0.0008868500000000, 0.0014518600000000, 0.0000226100000000 ] - [ 0.0000058300000000, -0.0008230200000000, -0.0001381500000000 ] - [ -0.0002111300000000, 0.0006136600000000, 0.0005790200000000 ] - [ 0.0017124800000000, 0.0004263700000000, 0.0007152900000000 ] - [ 0.0258901400000000, 0.0130084300000000, -0.0225455900000000 ] - [ 0.0006808700000000, -0.0007750700000000, -0.0015147800000000 ] - [ 0.0118617100000000, 0.0023108800000000, -0.0051970300000000 ] - [ -0.0013251900000000, -0.0016270900000000, 0.0005905700000000 ] - [ 0.0131407200000000, 0.0199910300000000, 0.0053227500000000 ] - [ 0.0000037700000000, -0.0006684100000000, -0.0001025500000000 ] - [ 0.0010647100000000, -0.0003784300000000, -0.0012964000000000 ] - [ -0.0059047400000000, 0.0035716200000000, 0.0074856300000000 ] - [ 0.0026123900000000, -0.0036995400000000, 0.0030150900000000 ] - [ 0.0026024200000000, -0.0006303800000000, 0.0059592800000000 ] - [ 0.0023414500000000, -0.0016836600000000, 0.0012692100000000 ] - [ 0.0002416800000000, -0.0001009100000000, 0.0002227800000000 ] - [ -0.0001365000000000, 0.0007763500000000, -0.0001818800000000 ] - [ -0.0002931900000000, 0.0009939100000000, -0.0002312300000000 ] - [ -0.0002380800000000, 0.0007669800000000, 0.0005793200000000 ] - [ -0.0003805600000000, 0.0006192500000000, 0.0005687200000000 ] - [ -0.0006640800000000, 0.0009172300000000, 0.0002631100000000 ] - [ -0.0002293400000000, 0.0003086000000000, 0.0004488000000000 ] - [ -0.0004103200000000, -0.0002770700000000, 0.0003499200000000 ] - [ -0.0001698700000000, -0.0000627700000000, 0.0003960500000000 ] - [ 0.0003825900000000, 0.0022174500000000, -0.0000412100000000 ] - [ 0.0003573900000000, -0.0006597300000000, 0.0000295200000000 ] - [ 0.0005095900000000, 0.0009161100000000, -0.0000291000000000 ] - [ 0.0003448500000000, 0.0013108500000000, 0.0001383300000000 ] - [ 0.0001250000000000, 0.0007807900000000, 0.0001959700000000 ] - [ 0.0000608500000000, 0.0007431200000000, 0.0001848000000000 ] - [ 0.0000074700000000, 0.0000479600000000, 0.0000480500000000 ] - [ 0.0002570300000000, -0.0000839800000000, -0.0000952900000000 ] - [ -0.0000348300000000, 0.0011539200000000, -0.0002838700000000 ] - [ -0.0001693900000000, 0.0006522400000000, -0.0003898100000000 ] - [ -0.0002465100000000, -0.0000720000000000, -0.0001920300000000 ] - [ -0.0001957100000000, 0.0000325800000000, -0.0004600400000000 ] - [ -0.0005416200000000, 0.0002403100000000, 0.0006389500000000 ] - [ -0.0005405200000000, 0.0002399200000000, 0.0006428500000000 ] - [ -0.0002421200000000, -0.0005089400000000, 0.0001194600000000 ] - [ -0.0000306900000000, 0.0000046300000000, -0.0001227100000000 ] - [ 0.1437935900000000, 0.0976282900000000, -0.0553109800000000 ] - [ -0.0018058300000000, 0.0001227400000000, 0.0007658100000000 ] - [ -0.0074422800000000, 0.0009663900000000, 0.0018529500000000 ] - [ 0.0010841800000000, 0.0012020200000000, -0.0049004200000000 ] - [ -0.0003358600000000, -0.0018525500000000, -0.0004208600000000 ] - [ 0.0000453500000000, -0.0016559100000000, -0.0001033700000000 ] - [ 0.0002468900000000, 0.0003186700000000, -0.0003936300000000 ] - [ -0.0001107300000000, 0.0002637700000000, -0.0000696400000000 ] - [ -0.0047299400000000, 0.0021763200000000, -0.0031870200000000 ] - [ 0.0006696300000000, 0.0008280700000000, -0.0004161000000000 ] - [ 0.0041962900000000, 0.0001038800000000, 0.0008163300000000 ] - [ -0.0009788000000000, 0.0045243100000000, 0.0031673600000000 ] - [ 0.0001941200000000, -0.0005433400000000, -0.0003166900000000 ] - [ 0.0000628400000000, -0.0003766300000000, -0.0003442400000000 ] - [ -0.0001951500000000, -0.0009945200000000, -0.0008194800000000 ] - [ 0.0001337100000000, -0.0006372000000000, -0.0002076600000000 ]- atom: 43 displacement: [ -0.0099998839938813, 0.0000000000000000, 0.0000481675089282 ] forces: - [ -0.0010860000000000, -0.0003851600000000, -0.0002353700000000 ] - [ 0.0001870000000000, 0.0010831200000000, -0.0008229100000000 ] - [ 0.0008424900000000, 0.0008843100000000, 0.0001374200000000 ] - [ -0.0004616800000000, 0.0002174400000000, -0.0004000200000000 ] - [ 0.0000660000000000, 0.0000498700000000, -0.0003397400000000 ] - [ 0.0002869600000000, -0.0005686000000000, -0.0003778900000000 ] - [ 0.0002747600000000, 0.0052686600000000, -0.0003516800000000 ] - [ 0.0001117200000000, 0.0005165300000000, -0.0004193300000000 ] - [ -0.0004406000000000, -0.0003215100000000, 0.0006371900000000 ] - [ 0.0000644600000000, 0.0005488400000000, 0.0002306300000000 ] - [ -0.0001720200000000, -0.0000518300000000, 0.0001818800000000 ] - [ -0.0001691900000000, 0.0003339300000000, 0.0003427500000000 ] - [ 0.0019730000000000, -0.0044024600000000, 0.0078824400000000 ] - [ 0.0009405100000000, -0.0014470100000000, 0.0012301000000000 ] - [ -0.0136735800000000, 0.0057281000000000, 0.0093559300000000 ] - [ 0.0008258600000000, -0.0003768300000000, -0.0000392100000000 ] - [ 0.0005702600000000, 0.0000029100000000, -0.0002503700000000 ] - [ -0.0003682600000000, 0.0006206700000000, -0.0005371600000000 ] - [ 0.0003628100000000, -0.0005776200000000, -0.0001290400000000 ] - [ -0.0000245400000000, -0.0001652700000000, -0.0003224400000000 ] - [ -0.0001297100000000, -0.0001100100000000, -0.0002212500000000 ] - [ -0.0001103600000000, -0.0000568000000000, -0.0001317200000000 ] - [ -0.0006184200000000, 0.0003119500000000, -0.0006156500000000 ] - [ -0.0001938100000000, 0.0001915700000000, -0.0002198600000000 ] - [ -0.0000783600000000, -0.0005598700000000, -0.0006928700000000 ] - [ 0.0001352300000000, -0.0005547700000000, -0.0002897300000000 ] - [ -0.0000205500000000, 0.0016193700000000, -0.0003302800000000 ] - [ 0.0002091500000000, 0.0008762600000000, -0.0002650700000000 ] - [ -0.0003460400000000, -0.0000039400000000, 0.0001512000000000 ] - [ -0.0000001900000000, 0.0004016100000000, 0.0001875700000000 ] - [ -0.0001621800000000, 0.0004931100000000, 0.0001404000000000 ] - [ 0.0000037100000000, -0.0003258600000000, 0.0002540800000000 ] - [ 0.0006983600000000, 0.0000935700000000, 0.0001717400000000 ] - [ 0.0007124300000000, 0.0000431500000000, 0.0002896400000000 ] - [ 0.0007874300000000, 0.0005103400000000, 0.0005694000000000 ] - [ 0.0007490800000000, 0.0004094400000000, 0.0006293300000000 ] - [ -0.0001127600000000, 0.0001742300000000, -0.0002413600000000 ] - [ -0.0000290100000000, 0.0001259600000000, -0.0002527600000000 ] - [ -0.0003105100000000, 0.0000449800000000, 0.0000726900000000 ] - [ -0.0000917500000000, 0.0000008500000000, -0.0001976200000000 ] - [ 0.0086413800000000, 0.0034875700000000, -0.0024114600000000 ] - [ -0.0008893600000000, 0.0009045900000000, -0.0000620100000000 ] - [ 0.1985503200000000, 0.1369504200000000, -0.0791578400000000 ] - [ -0.0011315000000000, 0.0005897600000000, 0.0012035700000000 ] - [ -0.0010327700000000, 0.0007832700000000, 0.0000459500000000 ] - [ 0.0001939800000000, -0.0005132100000000, 0.0012744800000000 ] - [ -0.0008151700000000, 0.0017912900000000, 0.0010084900000000 ] - [ -0.0001940400000000, -0.0010047500000000, 0.0008095100000000 ] - [ -0.0000836300000000, -0.0027125100000000, 0.0001343400000000 ] - [ 0.0008068600000000, -0.0004431200000000, 0.0002896300000000 ] - [ 0.0010178600000000, 0.0006526000000000, -0.0004320600000000 ] - [ -0.0008995700000000, 0.0008059000000000, -0.0005394200000000 ] - [ -0.0260110800000000, -0.0124384600000000, 0.0232192500000000 ] - [ -0.0003597100000000, 0.0015533800000000, 0.0016242900000000 ] - [ -0.0114050300000000, -0.0030303600000000, 0.0052215300000000 ] - [ 0.0016524900000000, 0.0008796200000000, -0.0005022800000000 ] - [ -0.0136185000000000, -0.0196438500000000, -0.0061220500000000 ] - [ -0.0003357800000000, 0.0014035800000000, -0.0005725700000000 ] - [ -0.0013946700000000, -0.0003446100000000, 0.0006160200000000 ] - [ 0.0055077800000000, -0.0044798200000000, -0.0084591300000000 ] - [ -0.0034853700000000, 0.0033075800000000, -0.0017752600000000 ] - [ -0.0035243200000000, 0.0002622800000000, -0.0046472300000000 ] - [ -0.0025993500000000, 0.0008272100000000, -0.0015103900000000 ] - [ -0.0005565300000000, -0.0007694400000000, -0.0004928900000000 ] - [ -0.0001512600000000, 0.0001019100000000, -0.0000590600000000 ] - [ 0.0000063000000000, -0.0001144800000000, -0.0000126400000000 ] - [ -0.0006575000000000, -0.0003665800000000, 0.0006818600000000 ] - [ -0.0005142800000000, -0.0002174300000000, 0.0006902400000000 ] - [ 0.0000457500000000, -0.0002179000000000, 0.0005224100000000 ] - [ -0.0003815800000000, 0.0003663800000000, 0.0003236000000000 ] - [ -0.0002034600000000, -0.0003952700000000, 0.0004298500000000 ] - [ -0.0004447900000000, -0.0006169100000000, 0.0003781300000000 ] - [ 0.0004280300000000, -0.0035160500000000, 0.0001999100000000 ] - [ 0.0004483100000000, -0.0006102500000000, 0.0001244900000000 ] - [ 0.0002962700000000, 0.0003549400000000, 0.0001821800000000 ] - [ 0.0004641200000000, -0.0000633600000000, 0.0000185800000000 ] - [ 0.0001988400000000, -0.0000106200000000, -0.0000863200000000 ] - [ 0.0002645600000000, 0.0000273300000000, -0.0000776600000000 ] - [ 0.0003167100000000, -0.0008249100000000, 0.0000636900000000 ] - [ 0.0000672800000000, -0.0006913500000000, 0.0002061400000000 ] - [ -0.0002957400000000, -0.0004212700000000, -0.0003881300000000 ] - [ -0.0001607600000000, 0.0000792800000000, -0.0002858700000000 ] - [ -0.0000820000000000, -0.0006672200000000, -0.0004831500000000 ] - [ -0.0001327600000000, -0.0007761200000000, -0.0002120100000000 ] - [ -0.0003525600000000, -0.0006478900000000, 0.0006198900000000 ] - [ -0.0003518000000000, -0.0006476900000000, 0.0006162800000000 ] - [ -0.0000492800000000, -0.0003795300000000, -0.0003606600000000 ] - [ -0.0002553500000000, -0.0008864100000000, -0.0001222400000000 ] - [ -0.1474497600000000, -0.1053083500000000, 0.0578811900000000 ] - [ 0.0016295700000000, -0.0020332400000000, -0.0012008100000000 ] - [ 0.0072287200000000, 0.0009006400000000, -0.0022790900000000 ] - [ -0.0011689500000000, 0.0005840700000000, 0.0045665000000000 ] - [ 0.0001565000000000, -0.0000431900000000, -0.0000219400000000 ] - [ -0.0002260900000000, -0.0002412200000000, -0.0003322600000000 ] - [ -0.0004268500000000, 0.0015920600000000, -0.0000446300000000 ] - [ -0.0000745100000000, 0.0016457700000000, -0.0003725300000000 ] - [ 0.0054913100000000, -0.0022321700000000, 0.0025409600000000 ] - [ -0.0005009000000000, -0.0005805600000000, -0.0003408400000000 ] - [ -0.0040177200000000, -0.0003554200000000, -0.0015898400000000 ] - [ 0.0011326900000000, -0.0048212500000000, -0.0039498500000000 ] - [ -0.0000258800000000, 0.0008051800000000, -0.0004531400000000 ] - [ 0.0001074500000000, 0.0006347600000000, -0.0004186400000000 ] - [ 0.0003662200000000, 0.0007478900000000, 0.0000562000000000 ] - [ 0.0000392100000000, 0.0003843200000000, -0.0005543100000000 ]- atom: 43 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003624100000000, -0.0003403400000000, -0.0017953400000000 ] - [ -0.0009072700000000, 0.0001171600000000, 0.0005767100000000 ] - [ -0.0015849600000000, -0.0003931200000000, -0.0000456900000000 ] - [ 0.0001145500000000, 0.0001682300000000, -0.0002684400000000 ] - [ 0.0006475000000000, -0.0053919500000000, 0.0000013400000000 ] - [ 0.0000678900000000, -0.0010694300000000, -0.0002409700000000 ] - [ 0.0002501900000000, -0.0035012300000000, -0.0007927400000000 ] - [ 0.0004460300000000, 0.0013246200000000, 0.0001960300000000 ] - [ -0.0005220900000000, -0.0014101100000000, 0.0000474500000000 ] - [ -0.0002804000000000, -0.0015989300000000, 0.0004977800000000 ] - [ 0.0000140500000000, -0.0017974000000000, 0.0001641800000000 ] - [ 0.0000078800000000, -0.0015778300000000, 0.0000750300000000 ] - [ -0.0007060200000000, 0.0086574100000000, -0.0092987600000000 ] - [ 0.0009855900000000, 0.0024848700000000, -0.0007040200000000 ] - [ -0.0009950600000000, -0.0174332000000000, -0.0322031800000000 ] - [ 0.0005310100000000, 0.0017937600000000, 0.0016150400000000 ] - [ 0.0001129300000000, 0.0011584800000000, -0.0024059000000000 ] - [ -0.0034968600000000, -0.0003184600000000, 0.0083402000000000 ] - [ 0.0008405900000000, -0.0002530500000000, -0.0003628000000000 ] - [ 0.0001532900000000, -0.0000395600000000, -0.0007755700000000 ] - [ -0.0001833600000000, -0.0005756400000000, -0.0000414300000000 ] - [ -0.0007041400000000, -0.0008265100000000, -0.0007262800000000 ] - [ -0.0003989100000000, -0.0005664800000000, -0.0003919000000000 ] - [ -0.0001241700000000, -0.0000145600000000, -0.0001452700000000 ] - [ 0.0002428500000000, -0.0022149600000000, -0.0001221600000000 ] - [ 0.0002928200000000, -0.0014116200000000, -0.0003614600000000 ] - [ 0.0005574100000000, -0.0015180500000000, -0.0003282700000000 ] - [ 0.0001860600000000, -0.0004325500000000, -0.0005580200000000 ] - [ -0.0001824800000000, -0.0014440300000000, 0.0004791500000000 ] - [ -0.0004445700000000, -0.0011560200000000, 0.0001228200000000 ] - [ 0.0018340500000000, -0.0077380800000000, -0.0009150100000000 ] - [ -0.0002328700000000, 0.0002211500000000, 0.0000207600000000 ] - [ 0.0008291800000000, -0.0014718300000000, 0.0015291000000000 ] - [ 0.0008345200000000, -0.0014431700000000, 0.0012493200000000 ] - [ 0.0006385600000000, -0.0011848000000000, -0.0004656300000000 ] - [ 0.0006958300000000, -0.0008171400000000, -0.0003517100000000 ] - [ -0.0003076700000000, -0.0004351600000000, 0.0003878200000000 ] - [ -0.0003551500000000, -0.0004151300000000, 0.0001257500000000 ] - [ 0.0007100900000000, -0.0006146200000000, -0.0017145100000000 ] - [ -0.0000886700000000, -0.0003278800000000, -0.0001177600000000 ] - [ 0.0100146500000000, 0.0326432700000000, -0.0276582200000000 ] - [ 0.0005445100000000, -0.0021127100000000, 0.0014826900000000 ] - [ -0.1302078200000000, -0.2393199100000000, 0.0830314400000000 ] - [ -0.0008288800000000, -0.0030455400000000, 0.0008058200000000 ] - [ -0.0004217200000000, 0.0008695900000000, 0.0008209500000000 ] - [ -0.0010464400000000, 0.0018220800000000, -0.0002855900000000 ] - [ -0.0005473900000000, 0.0007993600000000, 0.0031978400000000 ] - [ 0.0020224100000000, 0.0002821800000000, -0.0057200000000000 ] - [ 0.0015921200000000, 0.0027753200000000, -0.0010161800000000 ] - [ -0.0002877800000000, -0.0001352400000000, 0.0006866600000000 ] - [ 0.0003868800000000, 0.0004509500000000, 0.0015814200000000 ] - [ 0.0006604800000000, 0.0011204000000000, -0.0011476300000000 ] - [ 0.0030842600000000, -0.0110385900000000, -0.0021338900000000 ] - [ 0.0009353700000000, -0.0030224500000000, -0.0010430600000000 ] - [ 0.0037579900000000, -0.0050496100000000, -0.0000702500000000 ] - [ -0.0010732300000000, -0.0061692300000000, 0.0045059000000000 ] - [ 0.0239095500000000, 0.0107509700000000, 0.0063899200000000 ] - [ -0.0002697700000000, -0.0023074300000000, -0.0001615300000000 ] - [ 0.0002752300000000, -0.0022445000000000, -0.0020040100000000 ] - [ 0.0052735600000000, 0.0240569200000000, 0.0523464400000000 ] - [ 0.0000173900000000, -0.0081158800000000, 0.0009327800000000 ] - [ 0.0030645100000000, -0.0081293300000000, 0.0005596900000000 ] - [ -0.0053690300000000, 0.0002818900000000, -0.0042359200000000 ] - [ 0.0037806900000000, -0.0016417100000000, 0.0037482000000000 ] - [ -0.0005944000000000, 0.0029070700000000, -0.0006734100000000 ] - [ -0.0005415400000000, 0.0025618900000000, -0.0007208400000000 ] - [ 0.0001195900000000, 0.0027266300000000, 0.0003691600000000 ] - [ -0.0000287700000000, 0.0022302100000000, 0.0003580600000000 ] - [ -0.0016832600000000, 0.0058216100000000, 0.0012199200000000 ] - [ -0.0003201100000000, 0.0005328200000000, 0.0004913700000000 ] - [ -0.0001616100000000, 0.0013411400000000, 0.0000133200000000 ] - [ 0.0002702700000000, 0.0010850000000000, 0.0006428600000000 ] - [ 0.0006054700000000, 0.0027285600000000, 0.0007009000000000 ] - [ 0.0001660200000000, -0.0003730500000000, -0.0003755500000000 ] - [ 0.0004268100000000, 0.0016742100000000, -0.0002967900000000 ] - [ 0.0002778800000000, 0.0045478400000000, 0.0000885900000000 ] - [ -0.0002095400000000, 0.0024768400000000, 0.0005921800000000 ] - [ -0.0002134100000000, 0.0019315100000000, 0.0005778400000000 ] - [ 0.0004295600000000, 0.0015376700000000, -0.0001050100000000 ] - [ 0.0005224200000000, 0.0011473600000000, -0.0005763000000000 ] - [ 0.0001417700000000, 0.0028503400000000, -0.0005487600000000 ] - [ -0.0000465100000000, 0.0021162700000000, -0.0004480900000000 ] - [ -0.0001251400000000, 0.0009320700000000, 0.0003210300000000 ] - [ -0.0003745300000000, 0.0016560700000000, -0.0005172300000000 ] - [ -0.0008873400000000, 0.0021495000000000, 0.0009980500000000 ] - [ -0.0008888200000000, 0.0021484200000000, 0.0007534700000000 ] - [ 0.0002010500000000, 0.0021360800000000, 0.0013706800000000 ] - [ 0.0004092900000000, 0.0016746700000000, -0.0001602900000000 ] - [ 0.0940272200000000, 0.1716756400000000, -0.0590852800000000 ] - [ -0.0012426200000000, 0.0044906300000000, -0.0002494800000000 ] - [ 0.0017382100000000, 0.0092905200000000, 0.0040313500000000 ] - [ -0.0123204700000000, 0.0198259300000000, -0.0165207600000000 ] - [ -0.0001508800000000, -0.0052302300000000, -0.0000917100000000 ] - [ 0.0001177600000000, -0.0043256800000000, -0.0000517000000000 ] - [ -0.0004856800000000, -0.0029078300000000, -0.0016384500000000 ] - [ -0.0002430400000000, -0.0026824500000000, 0.0002733600000000 ] - [ -0.0015395100000000, 0.0134749200000000, -0.0011033000000000 ] - [ 0.0005551000000000, 0.0046437100000000, -0.0003526700000000 ] - [ 0.0011259100000000, 0.0082565700000000, -0.0027216900000000 ] - [ 0.0019206400000000, 0.0049562900000000, -0.0004024500000000 ] - [ 0.0003076100000000, -0.0033154600000000, -0.0000281700000000 ] - [ 0.0000667300000000, -0.0023018300000000, -0.0004516800000000 ] - [ -0.0001088000000000, -0.0029870400000000, -0.0012426700000000 ] - [ 0.0003533100000000, -0.0031180600000000, 0.0006510500000000 ]- atom: 43 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000373000000000, -0.0000079300000000, 0.0013582300000000 ] - [ 0.0005155800000000, -0.0004704700000000, -0.0010052700000000 ] - [ 0.0011801200000000, 0.0007347100000000, -0.0003905400000000 ] - [ -0.0005116700000000, 0.0001749900000000, -0.0001690000000000 ] - [ -0.0002851500000000, 0.0039108700000000, -0.0006804800000000 ] - [ 0.0002920800000000, -0.0003926700000000, -0.0004411100000000 ] - [ 0.0001080600000000, 0.0049697700000000, 0.0001088900000000 ] - [ -0.0000871200000000, 0.0001386800000000, -0.0008801800000000 ] - [ 0.0003077500000000, 0.0016938600000000, 0.0003866300000000 ] - [ 0.0000685400000000, 0.0018902800000000, -0.0000686300000000 ] - [ -0.0002271400000000, 0.0015044200000000, 0.0002679200000000 ] - [ -0.0002206500000000, 0.0012813100000000, 0.0003548600000000 ] - [ 0.0021500300000000, -0.0090761500000000, 0.0101842600000000 ] - [ 0.0004710300000000, -0.0028929800000000, 0.0016015300000000 ] - [ 0.0024212100000000, 0.0180660000000000, 0.0329875000000000 ] - [ 0.0009278600000000, -0.0013940500000000, -0.0007243800000000 ] - [ -0.0002909000000000, -0.0010539600000000, 0.0020289200000000 ] - [ 0.0033577100000000, 0.0004218600000000, -0.0087836300000000 ] - [ -0.0010218300000000, 0.0001479800000000, -0.0000091100000000 ] - [ -0.0003370300000000, -0.0000677900000000, 0.0004033500000000 ] - [ -0.0002159100000000, 0.0002318300000000, -0.0003950400000000 ] - [ 0.0003050300000000, 0.0004820000000000, 0.0002898800000000 ] - [ 0.0000047400000000, 0.0009092900000000, -0.0000396200000000 ] - [ -0.0002736000000000, 0.0003564600000000, -0.0002905300000000 ] - [ 0.0001190600000000, 0.0007436100000000, -0.0005634400000000 ] - [ 0.0000677500000000, -0.0000573400000000, -0.0003210200000000 ] - [ -0.0001953900000000, 0.0029839000000000, -0.0003542600000000 ] - [ 0.0001748900000000, 0.0018967600000000, -0.0001257000000000 ] - [ -0.0000291900000000, 0.0017366200000000, -0.0000476600000000 ] - [ 0.0002310400000000, 0.0014473800000000, 0.0003076700000000 ] - [ -0.0020568500000000, 0.0074846100000000, 0.0013620200000000 ] - [ 0.0000212400000000, -0.0005187000000000, 0.0004097200000000 ] - [ 0.0006317800000000, 0.0010742500000000, -0.0006379100000000 ] - [ 0.0006264000000000, 0.0010468400000000, -0.0003602500000000 ] - [ 0.0008221400000000, 0.0015803900000000, 0.0013548400000000 ] - [ 0.0007650100000000, 0.0012122700000000, 0.0012408000000000 ] - [ 0.0001246900000000, 0.0005418600000000, -0.0007616800000000 ] - [ 0.0001706000000000, 0.0005217500000000, -0.0004987200000000 ] - [ -0.0008952600000000, 0.0005064500000000, 0.0013438400000000 ] - [ -0.0000949100000000, 0.0002201300000000, -0.0002570600000000 ] - [ -0.0104612900000000, -0.0324030700000000, 0.0280474000000000 ] - [ -0.0008443300000000, 0.0030200100000000, -0.0017458000000000 ] - [ 0.1360508200000000, 0.2451790500000000, -0.0865292100000000 ] - [ -0.0000652600000000, 0.0034394400000000, 0.0004494700000000 ] - [ -0.0001935000000000, -0.0002225200000000, -0.0000355900000000 ] - [ 0.0004251400000000, -0.0011598700000000, 0.0010666700000000 ] - [ -0.0000673600000000, -0.0014458500000000, -0.0024120600000000 ] - [ -0.0026771400000000, -0.0009364300000000, 0.0065571900000000 ] - [ -0.0007968900000000, -0.0040541900000000, 0.0011459400000000 ] - [ 0.0010674700000000, -0.0011610400000000, -0.0005486500000000 ] - [ 0.0003990400000000, 0.0008441800000000, -0.0014435200000000 ] - [ 0.0001247000000000, 0.0001980700000000, 0.0012763200000000 ] - [ -0.0025930700000000, 0.0119776100000000, 0.0021396100000000 ] - [ -0.0006444900000000, 0.0038065500000000, 0.0011838100000000 ] - [ -0.0034660900000000, 0.0042189100000000, 0.0002112700000000 ] - [ 0.0013610900000000, 0.0053410400000000, -0.0043581200000000 ] - [ -0.0246047400000000, -0.0101077600000000, -0.0071457400000000 ] - [ -0.0000288800000000, 0.0030865100000000, -0.0005211000000000 ] - [ -0.0005714600000000, 0.0014552500000000, 0.0013263800000000 ] - [ -0.0055382600000000, -0.0244837300000000, -0.0522432200000000 ] - [ -0.0008805600000000, 0.0077043500000000, 0.0003487700000000 ] - [ -0.0039456600000000, 0.0076906800000000, 0.0006469700000000 ] - [ 0.0050208900000000, -0.0011786200000000, 0.0039425100000000 ] - [ -0.0040391000000000, 0.0007236500000000, -0.0039884600000000 ] - [ 0.0002980700000000, -0.0020003400000000, 0.0004067600000000 ] - [ 0.0002430300000000, -0.0016520400000000, 0.0004552200000000 ] - [ -0.0010136300000000, -0.0023292700000000, 0.0008903300000000 ] - [ -0.0008669600000000, -0.0018335900000000, 0.0009042400000000 ] - [ 0.0010698300000000, -0.0051996400000000, -0.0004413300000000 ] - [ -0.0002963300000000, 0.0001230000000000, 0.0002939300000000 ] - [ -0.0004572100000000, -0.0019910700000000, 0.0007724700000000 ] - [ -0.0008858300000000, -0.0017369300000000, 0.0001421900000000 ] - [ 0.0001765900000000, -0.0040243300000000, -0.0005671500000000 ] - [ 0.0006195700000000, -0.0009208600000000, 0.0005129600000000 ] - [ 0.0003591800000000, -0.0003808300000000, 0.0004334200000000 ] - [ 0.0005053000000000, -0.0032405400000000, 0.0000458600000000 ] - [ 0.0005023500000000, -0.0016842300000000, -0.0004612500000000 ] - [ 0.0005070400000000, -0.0011396400000000, -0.0004474000000000 ] - [ -0.0001359200000000, -0.0023283400000000, 0.0002347200000000 ] - [ -0.0002293200000000, -0.0019384100000000, 0.0007075700000000 ] - [ -0.0004429000000000, -0.0020726800000000, -0.0001320700000000 ] - [ -0.0002545600000000, -0.0013393700000000, -0.0002286300000000 ] - [ -0.0001759100000000, -0.0017063300000000, -0.0009995700000000 ] - [ 0.0000723900000000, -0.0024262700000000, -0.0001623900000000 ] - [ -0.0000080900000000, -0.0025431600000000, 0.0002615100000000 ] - [ -0.0000064100000000, -0.0025447600000000, 0.0005057600000000 ] - [ -0.0004975600000000, -0.0030398000000000, -0.0016400300000000 ] - [ -0.0007086800000000, -0.0025830200000000, -0.0001039600000000 ] - [ -0.1007599500000000, -0.1791035800000000, 0.0625607400000000 ] - [ 0.0010833900000000, -0.0064341900000000, -0.0001853000000000 ] - [ -0.0019012600000000, -0.0073018200000000, -0.0044696300000000 ] - [ 0.0120749000000000, -0.0177511700000000, 0.0160618600000000 ] - [ -0.0000130400000000, 0.0032944200000000, -0.0003419700000000 ] - [ -0.0002795400000000, 0.0023900800000000, -0.0003837100000000 ] - [ 0.0003237100000000, 0.0048402900000000, 0.0012058500000000 ] - [ 0.0000837500000000, 0.0046171900000000, -0.0007073400000000 ] - [ 0.0018574700000000, -0.0133218400000000, 0.0003765600000000 ] - [ -0.0003867700000000, -0.0044077900000000, -0.0004187700000000 ] - [ -0.0008790000000000, -0.0083704700000000, 0.0016656500000000 ] - [ -0.0017440100000000, -0.0051484500000000, -0.0003286600000000 ] - [ -0.0001391000000000, 0.0035564700000000, -0.0007313400000000 ] - [ 0.0001008000000000, 0.0025437900000000, -0.0003104300000000 ] - [ 0.0002765400000000, 0.0027415100000000, 0.0004825100000000 ] - [ -0.0001875200000000, 0.0028766900000000, -0.0014156400000000 ]- atom: 43 displacement: [ -0.0049439770564842, 0.0000000000000000, 0.0086923581877968 ] forces: - [ -0.0006698600000000, -0.0011092100000000, -0.0007175600000000 ] - [ 0.0003112100000000, 0.0010400700000000, -0.0010936400000000 ] - [ 0.0007652800000000, 0.0004881100000000, 0.0012963700000000 ] - [ -0.0008426600000000, 0.0003137200000000, -0.0014448900000000 ] - [ 0.0004710000000000, -0.0033717400000000, 0.0005389600000000 ] - [ 0.0002694800000000, 0.0002494400000000, -0.0006785700000000 ] - [ 0.0004629700000000, 0.0006266600000000, 0.0000108700000000 ] - [ 0.0000882200000000, 0.0006285800000000, -0.0007074900000000 ] - [ -0.0008226100000000, -0.0010419200000000, 0.0008886800000000 ] - [ 0.0001048100000000, 0.0010506300000000, -0.0000172600000000 ] - [ -0.0000450400000000, -0.0001270800000000, 0.0003052200000000 ] - [ -0.0002525300000000, 0.0008207600000000, 0.0004060600000000 ] - [ -0.0011815900000000, -0.0040693700000000, 0.0029890900000000 ] - [ 0.0007462500000000, 0.0010971200000000, -0.0015400100000000 ] - [ -0.0096522400000000, -0.0090931500000000, 0.0069584200000000 ] - [ 0.0006815700000000, -0.0011589800000000, -0.0017820500000000 ] - [ 0.0003062400000000, -0.0003092500000000, -0.0008092000000000 ] - [ 0.0006178500000000, 0.0008334000000000, -0.0030800900000000 ] - [ -0.0003338200000000, 0.0001682900000000, 0.0023026800000000 ] - [ 0.0006868100000000, -0.0007330000000000, -0.0024209400000000 ] - [ -0.0001845300000000, 0.0000570700000000, -0.0002583600000000 ] - [ -0.0003567600000000, -0.0003390400000000, -0.0003969600000000 ] - [ 0.0002243600000000, 0.0003855100000000, 0.0004144800000000 ] - [ -0.0003210300000000, 0.0001877100000000, -0.0004947900000000 ] - [ -0.0001171600000000, -0.0001096000000000, -0.0003513900000000 ] - [ 0.0001742900000000, -0.0011526300000000, -0.0003929900000000 ] - [ -0.0001363800000000, 0.0020475100000000, -0.0003712700000000 ] - [ 0.0002506800000000, 0.0005666400000000, -0.0003979500000000 ] - [ -0.0000111300000000, 0.0017160900000000, 0.0002859600000000 ] - [ -0.0002739100000000, -0.0006497400000000, 0.0000211400000000 ] - [ -0.0013240500000000, 0.0047218500000000, 0.0008401100000000 ] - [ -0.0000102400000000, -0.0007642200000000, 0.0000245600000000 ] - [ 0.0007008400000000, 0.0000424900000000, 0.0002750200000000 ] - [ 0.0007439400000000, 0.0000599600000000, 0.0001376700000000 ] - [ 0.0007435300000000, 0.0006015300000000, 0.0008860300000000 ] - [ 0.0007289500000000, 0.0002469400000000, 0.0003404300000000 ] - [ 0.0000094300000000, 0.0002961500000000, -0.0005423800000000 ] - [ -0.0001922000000000, 0.0000224100000000, -0.0000101600000000 ] - [ -0.0006158500000000, 0.0000350500000000, 0.0010608300000000 ] - [ 0.0000374500000000, -0.0000747800000000, -0.0006257800000000 ] - [ 0.0000779800000000, -0.0209017000000000, -0.0000136000000000 ] - [ -0.0007430900000000, 0.0012551100000000, 0.0013434900000000 ] - [ 0.1665763700000000, 0.1421842700000000, -0.1644199000000000 ] - [ -0.0012644000000000, 0.0005456900000000, 0.0038458100000000 ] - [ -0.0009825200000000, 0.0008694900000000, -0.0020084900000000 ] - [ 0.0005286800000000, -0.0015641000000000, 0.0041177500000000 ] - [ -0.0006878000000000, 0.0028418000000000, 0.0002165300000000 ] - [ -0.0007856500000000, -0.0012349600000000, 0.0028693700000000 ] - [ -0.0004405400000000, -0.0038138300000000, -0.0015903900000000 ] - [ 0.0007207500000000, -0.0000040600000000, 0.0016593500000000 ] - [ 0.0007970700000000, 0.0014692400000000, 0.0004958900000000 ] - [ -0.0004702700000000, -0.0002892800000000, -0.0005356100000000 ] - [ -0.0329344400000000, -0.0136741200000000, 0.0130630400000000 ] - [ -0.0017768900000000, 0.0030042400000000, 0.0050678100000000 ] - [ -0.0097052600000000, -0.0023636500000000, 0.0019495000000000 ] - [ 0.0001917400000000, -0.0010043000000000, 0.0035691100000000 ] - [ 0.0058885700000000, 0.0033031400000000, -0.0092685500000000 ] - [ 0.0002952200000000, 0.0007872600000000, 0.0030929500000000 ] - [ -0.0003386500000000, -0.0012201300000000, 0.0025438700000000 ] - [ 0.0056058600000000, 0.0179443500000000, 0.0190919200000000 ] - [ 0.0026581300000000, 0.0015520200000000, 0.0038996100000000 ] - [ 0.0001240400000000, -0.0002353900000000, 0.0024441400000000 ] - [ 0.0008404600000000, -0.0035393900000000, -0.0013452300000000 ] - [ 0.0014032000000000, 0.0009862800000000, 0.0034238800000000 ] - [ -0.0001562100000000, 0.0003189500000000, -0.0004995100000000 ] - [ 0.0000914600000000, -0.0005923500000000, 0.0004353800000000 ] - [ -0.0005966100000000, -0.0002997700000000, 0.0002562500000000 ] - [ -0.0005302200000000, -0.0002372900000000, 0.0011180100000000 ] - [ 0.0003716800000000, -0.0031254300000000, -0.0005602900000000 ] - [ -0.0003338200000000, 0.0007235400000000, 0.0008053400000000 ] - [ -0.0004396500000000, -0.0015858700000000, 0.0003456700000000 ] - [ -0.0001128900000000, 0.0001525400000000, 0.0005813800000000 ] - [ 0.0000475100000000, -0.0006763900000000, -0.0006699900000000 ] - [ 0.0005344500000000, -0.0007081500000000, 0.0006041600000000 ] - [ 0.0003490400000000, -0.0002832700000000, 0.0005003500000000 ] - [ 0.0003119100000000, 0.0022958800000000, -0.0003949300000000 ] - [ 0.0003815300000000, -0.0000053700000000, -0.0004279900000000 ] - [ 0.0002312700000000, 0.0000462800000000, 0.0002599700000000 ] - [ 0.0002958400000000, -0.0005943100000000, -0.0001953400000000 ] - [ -0.0000126000000000, -0.0007732700000000, 0.0004073200000000 ] - [ -0.0004074600000000, -0.0007011700000000, -0.0008958700000000 ] - [ -0.0000244500000000, 0.0002996400000000, 0.0002477500000000 ] - [ -0.0001832500000000, -0.0002291600000000, -0.0003803300000000 ] - [ -0.0000627800000000, -0.0011090800000000, -0.0003459100000000 ] - [ -0.0003896600000000, -0.0005277200000000, 0.0006545200000000 ] - [ -0.0003929300000000, -0.0007397900000000, 0.0006516200000000 ] - [ 0.0001794000000000, 0.0000118700000000, -0.0008992100000000 ] - [ -0.0004230400000000, -0.0011827200000000, 0.0002101000000000 ] - [ -0.1268916400000000, -0.1116563600000000, 0.1156043100000000 ] - [ 0.0022732200000000, -0.0031620000000000, -0.0061703400000000 ] - [ -0.0000925600000000, 0.0047483100000000, -0.0024808900000000 ] - [ -0.0052613800000000, 0.0036554200000000, -0.0087784000000000 ] - [ 0.0000786100000000, -0.0001054500000000, 0.0010130900000000 ] - [ -0.0004545100000000, -0.0001240700000000, -0.0013245500000000 ] - [ -0.0002628300000000, 0.0013203200000000, 0.0001309300000000 ] - [ 0.0001021300000000, 0.0018702600000000, -0.0005679400000000 ] - [ 0.0051701300000000, -0.0029813600000000, 0.0115996500000000 ] - [ -0.0003517900000000, -0.0008777300000000, -0.0047938700000000 ] - [ -0.0024999200000000, -0.0014921500000000, 0.0055478600000000 ] - [ 0.0017275700000000, -0.0049256400000000, -0.0052011100000000 ] - [ 0.0001854900000000, 0.0005502000000000, 0.0004954100000000 ] - [ 0.0000746800000000, 0.0006995900000000, -0.0011036400000000 ] - [ 0.0001840100000000, 0.0001404000000000, -0.0000984800000000 ] - [ -0.0000698600000000, 0.0007646700000000, -0.0010415800000000 ]- atom: 43 displacement: [ 0.0049439770564842, 0.0000000000000000, -0.0086923581877968 ] forces: - [ 0.0002765200000000, 0.0007720900000000, 0.0002803100000000 ] - [ -0.0007117500000000, -0.0013761400000000, 0.0006583500000000 ] - [ -0.0011697800000000, -0.0001446500000000, -0.0017383700000000 ] - [ 0.0004506000000000, 0.0000298800000000, 0.0010152100000000 ] - [ -0.0001086000000000, 0.0019144000000000, -0.0012221000000000 ] - [ 0.0000892400000000, -0.0017180900000000, -0.0000037600000000 ] - [ -0.0001021300000000, 0.0008016400000000, -0.0006953000000000 ] - [ 0.0002736000000000, 0.0008378100000000, 0.0000258200000000 ] - [ 0.0006146000000000, 0.0013359100000000, -0.0004603900000000 ] - [ -0.0003168600000000, -0.0007621000000000, 0.0004493800000000 ] - [ -0.0001670700000000, -0.0001659400000000, 0.0001254500000000 ] - [ 0.0000421800000000, -0.0011219100000000, 0.0000224100000000 ] - [ 0.0026365500000000, 0.0037171600000000, -0.0021729400000000 ] - [ 0.0007181800000000, -0.0015010200000000, 0.0024378500000000 ] - [ 0.0110629000000000, 0.0099071400000000, -0.0057008300000000 ] - [ 0.0007779500000000, 0.0015598600000000, 0.0026777800000000 ] - [ -0.0004946400000000, 0.0004204100000000, 0.0004309600000000 ] - [ -0.0008191600000000, -0.0007262600000000, 0.0027471100000000 ] - [ 0.0001446600000000, -0.0002730100000000, -0.0026790800000000 ] - [ -0.0008737700000000, 0.0006300600000000, 0.0020578200000000 ] - [ -0.0002151700000000, -0.0004013100000000, -0.0001792100000000 ] - [ -0.0000404500000000, -0.0000043900000000, -0.0000379700000000 ] - [ -0.0006207100000000, -0.0000433800000000, -0.0008485100000000 ] - [ -0.0000774800000000, 0.0001561100000000, 0.0000579100000000 ] - [ 0.0004769300000000, -0.0013614000000000, -0.0003296800000000 ] - [ 0.0001866500000000, -0.0003130000000000, -0.0002906300000000 ] - [ 0.0004990600000000, -0.0005895700000000, -0.0003112700000000 ] - [ 0.0001102100000000, 0.0008971700000000, -0.0002844500000000 ] - [ -0.0001986000000000, -0.0014221100000000, 0.0001447000000000 ] - [ 0.0000624600000000, 0.0009426300000000, 0.0004110700000000 ] - [ 0.0011178800000000, -0.0050183000000000, -0.0004141700000000 ] - [ -0.0002027500000000, 0.0004754600000000, 0.0004061900000000 ] - [ 0.0007604200000000, -0.0004424900000000, 0.0006179400000000 ] - [ 0.0007169900000000, -0.0004588700000000, 0.0007542600000000 ] - [ 0.0007171700000000, -0.0002073000000000, 0.0000026800000000 ] - [ 0.0007318800000000, 0.0001472900000000, 0.0005465000000000 ] - [ -0.0001922700000000, -0.0001911700000000, 0.0001689000000000 ] - [ 0.0000104100000000, 0.0000840000000000, -0.0003650300000000 ] - [ 0.0004371400000000, -0.0001417300000000, -0.0014407000000000 ] - [ -0.0002202900000000, -0.0000318900000000, 0.0002514000000000 ] - [ -0.0002812900000000, 0.0216753600000000, -0.0003981400000000 ] - [ 0.0004561000000000, -0.0003692400000000, -0.0016080100000000 ] - [ -0.1628477300000000, -0.1368264700000000, 0.1642785700000000 ] - [ 0.0003804300000000, -0.0001512800000000, -0.0025980100000000 ] - [ 0.0003725300000000, -0.0002080400000000, 0.0028022700000000 ] - [ -0.0011569200000000, 0.0022443800000000, -0.0033580300000000 ] - [ 0.0000837400000000, -0.0035270700000000, 0.0005770100000000 ] - [ 0.0001862300000000, 0.0005731800000000, -0.0021093600000000 ] - [ 0.0012304400000000, 0.0025435000000000, 0.0017392500000000 ] - [ 0.0000611400000000, -0.0012854100000000, -0.0015321100000000 ] - [ -0.0000171800000000, -0.0001823100000000, -0.0003561900000000 ] - [ 0.0012538100000000, 0.0015714100000000, 0.0006641800000000 ] - [ 0.0324372300000000, 0.0141910500000000, -0.0126007900000000 ] - [ 0.0020805000000000, -0.0022372200000000, -0.0049706600000000 ] - [ 0.0101429000000000, 0.0015972200000000, -0.0018493500000000 ] - [ 0.0001040200000000, 0.0002196700000000, -0.0034545800000000 ] - [ -0.0060389400000000, -0.0024136500000000, 0.0086022800000000 ] - [ -0.0005994200000000, -0.0000222400000000, -0.0037923200000000 ] - [ 0.0000528200000000, 0.0004538800000000, -0.0032277800000000 ] - [ -0.0058373700000000, -0.0185226600000000, -0.0197395000000000 ] - [ -0.0035616000000000, -0.0019794600000000, -0.0026360400000000 ] - [ -0.0010388100000000, -0.0001621100000000, -0.0012170700000000 ] - [ -0.0011126800000000, 0.0026363000000000, 0.0011061100000000 ] - [ -0.0017046400000000, -0.0018914500000000, -0.0037038200000000 ] - [ -0.0001403800000000, 0.0005835600000000, 0.0002335500000000 ] - [ -0.0003908200000000, 0.0015008400000000, -0.0007012700000000 ] - [ -0.0002935900000000, 0.0007021000000000, 0.0009992900000000 ] - [ -0.0003600300000000, 0.0006400800000000, 0.0001373500000000 ] - [ -0.0009932200000000, 0.0037871400000000, 0.0013516900000000 ] - [ -0.0002799800000000, -0.0000635500000000, -0.0000161800000000 ] - [ -0.0001760500000000, 0.0009281000000000, 0.0004446100000000 ] - [ -0.0005034500000000, -0.0008121000000000, 0.0002062200000000 ] - [ 0.0007371500000000, -0.0005907900000000, 0.0008063200000000 ] - [ 0.0002491500000000, -0.0005829800000000, -0.0004700000000000 ] - [ 0.0004369200000000, 0.0015806200000000, -0.0003653500000000 ] - [ 0.0004707500000000, -0.0010058600000000, 0.0005301300000000 ] - [ -0.0000909900000000, 0.0007991200000000, 0.0005595400000000 ] - [ 0.0000578800000000, 0.0007483100000000, -0.0001279500000000 ] - [ -0.0000045500000000, -0.0001909800000000, 0.0003269000000000 ] - [ 0.0003053900000000, -0.0000141600000000, -0.0002781100000000 ] - [ 0.0001061900000000, 0.0014803300000000, 0.0002152500000000 ] - [ -0.0002782500000000, 0.0004743700000000, -0.0009302100000000 ] - [ -0.0001193800000000, -0.0005391800000000, -0.0002974500000000 ] - [ -0.0002401900000000, 0.0003423000000000, -0.0003371500000000 ] - [ -0.0005019500000000, 0.0001341500000000, 0.0006026300000000 ] - [ -0.0004982200000000, 0.0003451000000000, 0.0006033100000000 ] - [ -0.0004770600000000, -0.0009101600000000, 0.0006378200000000 ] - [ 0.0001286900000000, 0.0002902600000000, -0.0004755500000000 ] - [ 0.1222795600000000, 0.1039302700000000, -0.1144487600000000 ] - [ -0.0024596700000000, 0.0012532400000000, 0.0057599300000000 ] - [ -0.0001157200000000, -0.0028174700000000, 0.0020348000000000 ] - [ 0.0051186600000000, -0.0017159100000000, 0.0084125200000000 ] - [ -0.0002427600000000, -0.0018377400000000, -0.0014497300000000 ] - [ 0.0002939500000000, -0.0018196500000000, 0.0008898500000000 ] - [ 0.0001011600000000, 0.0006091000000000, -0.0005693300000000 ] - [ -0.0002667900000000, 0.0000584500000000, 0.0001341200000000 ] - [ -0.0049189100000000, 0.0032375300000000, -0.0123582400000000 ] - [ 0.0005241300000000, 0.0011279600000000, 0.0040401100000000 ] - [ 0.0027861200000000, 0.0017196500000000, -0.0069663800000000 ] - [ -0.0015654700000000, 0.0046660800000000, 0.0044305300000000 ] - [ -0.0000183100000000, -0.0003154100000000, -0.0012573900000000 ] - [ 0.0000923100000000, -0.0004663900000000, 0.0003426800000000 ] - [ -0.0000186500000000, -0.0003874500000000, -0.0006670600000000 ] - [ 0.0002383600000000, -0.0010092500000000, 0.0002834400000000 ]- atom: 45 displacement: [ 0.0099998839938813, 0.0000000000000000, -0.0000481675089282 ] forces: - [ -0.0002235800000000, -0.0001155200000000, -0.0002104700000000 ] - [ -0.0001590800000000, -0.0000675000000000, -0.0002446700000000 ] - [ -0.0106574300000000, 0.0006459600000000, -0.0132467000000000 ] - [ -0.0007503700000000, 0.0002749900000000, -0.0003203200000000 ] - [ -0.0036784600000000, -0.0013696000000000, -0.0003152100000000 ] - [ 0.0006049800000000, -0.0013060400000000, -0.0006467600000000 ] - [ 0.0001909400000000, 0.0010141100000000, -0.0003417700000000 ] - [ 0.0001772500000000, 0.0009027800000000, -0.0003514800000000 ] - [ -0.0000743300000000, 0.0004211300000000, 0.0001989200000000 ] - [ -0.0000684500000000, 0.0004173100000000, 0.0001967600000000 ] - [ 0.0227895800000000, -0.0191961100000000, -0.0137035100000000 ] - [ -0.0003077700000000, -0.0002840400000000, 0.0000066700000000 ] - [ 0.0007337400000000, 0.0001768700000000, -0.0000159200000000 ] - [ 0.0008317100000000, -0.0002948800000000, 0.0005613500000000 ] - [ -0.0007529700000000, 0.0003258900000000, 0.0011281300000000 ] - [ 0.0005121100000000, 0.0003288100000000, 0.0004942200000000 ] - [ -0.0000412600000000, 0.0000959600000000, -0.0002637700000000 ] - [ -0.0000909900000000, 0.0001418500000000, -0.0002844400000000 ] - [ 0.1045611500000000, -0.0205109700000000, -0.1408150200000000 ] - [ -0.0001969400000000, 0.0000755000000000, 0.0002103000000000 ] - [ 0.0002263400000000, -0.0001835000000000, -0.0003114100000000 ] - [ -0.0007984400000000, -0.0000070800000000, -0.0007939900000000 ] - [ -0.0002120800000000, 0.0002488200000000, -0.0002309200000000 ] - [ -0.0002171800000000, 0.0002268000000000, -0.0002308600000000 ] - [ 0.0001611000000000, -0.0004773100000000, -0.0003293000000000 ] - [ 0.0001860000000000, -0.0005128600000000, -0.0003383300000000 ] - [ 0.0005830700000000, 0.0042386900000000, -0.0000782800000000 ] - [ 0.0003679400000000, 0.0001443500000000, -0.0006344400000000 ] - [ -0.0006374300000000, -0.0019744200000000, 0.0010422500000000 ] - [ -0.0003717100000000, 0.0001723500000000, 0.0008132100000000 ] - [ -0.0001442400000000, 0.0001563200000000, 0.0002357000000000 ] - [ -0.0001417900000000, 0.0001050000000000, 0.0002378500000000 ] - [ 0.0006937800000000, 0.0003206800000000, -0.0003253500000000 ] - [ 0.0008142400000000, -0.0003458000000000, 0.0005503100000000 ] - [ 0.0007459100000000, 0.0006137400000000, 0.0008180000000000 ] - [ 0.0007244300000000, 0.0002443800000000, 0.0004502500000000 ] - [ -0.0005628300000000, 0.0001304200000000, -0.0001413300000000 ] - [ -0.0002819100000000, 0.0004588000000000, 0.0007157200000000 ] - [ -0.0001458700000000, 0.0000308100000000, -0.0001000800000000 ] - [ -0.0001191800000000, -0.0000047400000000, -0.0001255500000000 ] - [ 0.0002365500000000, 0.0000112500000000, -0.0000609100000000 ] - [ -0.0002461900000000, 0.0000394600000000, -0.0000242300000000 ] - [ 0.0002747300000000, 0.0000812200000000, 0.0002719700000000 ] - [ -0.0009415800000000, -0.0005271200000000, 0.0012981900000000 ] - [ -0.1379266800000000, 0.0529390400000000, 0.1685391600000000 ] - [ 0.0003612900000000, 0.0004553800000000, 0.0004491700000000 ] - [ -0.0003451000000000, -0.0005516300000000, 0.0004113300000000 ] - [ -0.0003450700000000, -0.0006106400000000, 0.0004289400000000 ] - [ 0.0147042300000000, -0.0032292300000000, 0.0157352200000000 ] - [ 0.0006850200000000, -0.0002880500000000, 0.0011795600000000 ] - [ 0.0004348800000000, 0.0003753000000000, 0.0000757200000000 ] - [ 0.0003493300000000, 0.0003316700000000, 0.0000967000000000 ] - [ 0.0005895700000000, -0.0009907400000000, -0.0003357000000000 ] - [ -0.0000423300000000, 0.0005131700000000, 0.0003202000000000 ] - [ -0.0021908100000000, -0.0003099600000000, 0.0011817200000000 ] - [ 0.0010184200000000, -0.0002784400000000, 0.0003530700000000 ] - [ -0.0001224400000000, -0.0000321800000000, -0.0002704400000000 ] - [ -0.0003070100000000, 0.0002432100000000, -0.0004620000000000 ] - [ -0.0020208000000000, -0.0005362500000000, -0.0014006400000000 ] - [ 0.0060305800000000, -0.0011781400000000, 0.0009175400000000 ] - [ -0.0005543500000000, -0.0025678800000000, 0.0000019100000000 ] - [ 0.0000641000000000, 0.0000426600000000, 0.0004781600000000 ] - [ -0.0000825900000000, -0.0069563000000000, -0.0176235500000000 ] - [ 0.0015076800000000, 0.0010367000000000, -0.0015103900000000 ] - [ -0.0023873700000000, -0.0060970900000000, -0.0002472200000000 ] - [ 0.0000430200000000, 0.0005448800000000, -0.0001475300000000 ] - [ -0.0008014500000000, -0.0011863000000000, 0.0012293400000000 ] - [ -0.0003728700000000, 0.0001926900000000, 0.0006391500000000 ] - [ -0.0002471500000000, 0.0000405600000000, 0.0003487800000000 ] - [ -0.0002644400000000, 0.0000839000000000, 0.0003894600000000 ] - [ 0.0002602200000000, 0.0008455500000000, -0.0000229500000000 ] - [ 0.0002714300000000, -0.0004325500000000, -0.0000345400000000 ] - [ 0.0003927100000000, -0.0009518600000000, 0.0000710700000000 ] - [ 0.0004075500000000, -0.0008546000000000, 0.0000607200000000 ] - [ -0.0001425700000000, 0.0007840000000000, 0.0005967800000000 ] - [ 0.0036091900000000, 0.0020787900000000, 0.0006472400000000 ] - [ 0.0007949100000000, 0.0000738300000000, -0.0004677700000000 ] - [ 0.0000929800000000, 0.0004013400000000, 0.0001536400000000 ] - [ 0.0002148000000000, -0.0005832900000000, 0.0001303400000000 ] - [ 0.0000869700000000, -0.0005596600000000, 0.0000004200000000 ] - [ -0.0002011300000000, -0.0015490000000000, -0.0003220700000000 ] - [ -0.0001495200000000, 0.0007091100000000, -0.0001999500000000 ] - [ -0.0000687000000000, -0.0006231000000000, -0.0002389900000000 ] - [ -0.0002075800000000, -0.0007298200000000, -0.0006024000000000 ] - [ -0.0003113000000000, -0.0007809800000000, 0.0009331400000000 ] - [ -0.0005558300000000, -0.0003530900000000, 0.0004184400000000 ] - [ -0.0001504700000000, -0.0008262500000000, -0.0001857500000000 ] - [ -0.0002370300000000, -0.0007661000000000, -0.0002308900000000 ] - [ -0.0012465500000000, -0.0000070300000000, 0.0003715100000000 ] - [ 0.0006132700000000, -0.0003208400000000, -0.0003724500000000 ] - [ 0.0085008400000000, 0.0076823300000000, 0.0013123700000000 ] - [ -0.0033508400000000, -0.0004605300000000, -0.0018365600000000 ] - [ -0.0018646400000000, 0.0017635000000000, -0.0002392200000000 ] - [ -0.0002038400000000, -0.0010968300000000, -0.0004707800000000 ] - [ -0.0003163100000000, 0.0016266700000000, -0.0002569200000000 ] - [ 0.0000952200000000, 0.0013845500000000, 0.0000165700000000 ] - [ 0.0003540300000000, -0.0000100200000000, -0.0003044500000000 ] - [ -0.0001226400000000, 0.0005019200000000, -0.0001917900000000 ] - [ -0.0025982800000000, -0.0030063900000000, -0.0020838200000000 ] - [ 0.0041813200000000, -0.0005280500000000, -0.0008781900000000 ] - [ 0.0001096800000000, -0.0010481000000000, -0.0000262900000000 ] - [ 0.0001535300000000, 0.0002552800000000, -0.0004264900000000 ] - [ 0.0001948900000000, 0.0002730100000000, -0.0006236700000000 ] - [ 0.0000225200000000, 0.0002551400000000, -0.0002187400000000 ]- atom: 45 displacement: [ -0.0099998839938813, 0.0000000000000000, 0.0000481675089282 ] forces: - [ -0.0001847600000000, -0.0002272000000000, -0.0002358000000000 ] - [ -0.0002486500000000, -0.0002740300000000, -0.0002021500000000 ] - [ 0.0102021000000000, -0.0002610900000000, 0.0128914300000000 ] - [ 0.0003446400000000, 0.0000664400000000, -0.0001276700000000 ] - [ 0.0040055500000000, -0.0001011600000000, -0.0003853900000000 ] - [ -0.0002466100000000, -0.0001497700000000, -0.0000320300000000 ] - [ 0.0001712600000000, 0.0004483900000000, -0.0003381100000000 ] - [ 0.0001848600000000, 0.0005574900000000, -0.0003289700000000 ] - [ -0.0001409400000000, -0.0001119300000000, 0.0002308600000000 ] - [ -0.0001468600000000, -0.0001065700000000, 0.0002328300000000 ] - [ -0.0230754700000000, 0.0157697800000000, 0.0140184000000000 ] - [ 0.0000941100000000, -0.0000216600000000, 0.0004249900000000 ] - [ 0.0007273100000000, -0.0005737300000000, 0.0009116100000000 ] - [ 0.0006284500000000, -0.0000909800000000, 0.0003201100000000 ] - [ 0.0022011000000000, 0.0000848600000000, -0.0002293600000000 ] - [ 0.0009494600000000, 0.0000568900000000, 0.0003862500000000 ] - [ -0.0001503000000000, 0.0000140800000000, -0.0001000700000000 ] - [ -0.0001002500000000, -0.0000298100000000, -0.0000814700000000 ] - [ -0.1048258800000000, 0.0185977200000000, 0.1342911100000000 ] - [ 0.0000090400000000, -0.0001888900000000, -0.0005835200000000 ] - [ -0.0006342200000000, -0.0001588200000000, -0.0001336900000000 ] - [ 0.0003846900000000, -0.0003364400000000, 0.0003368800000000 ] - [ -0.0001957300000000, 0.0000949100000000, -0.0002150800000000 ] - [ -0.0001918500000000, 0.0001166600000000, -0.0002162300000000 ] - [ 0.0002008800000000, -0.0009802700000000, -0.0003506100000000 ] - [ 0.0001759900000000, -0.0009456300000000, -0.0003417500000000 ] - [ -0.0002319400000000, -0.0028018400000000, -0.0006067000000000 ] - [ -0.0000029200000000, 0.0013159700000000, -0.0000444100000000 ] - [ 0.0004324400000000, 0.0023017800000000, -0.0005987600000000 ] - [ 0.0001541500000000, 0.0001303000000000, -0.0003897500000000 ] - [ -0.0000717300000000, -0.0004595700000000, 0.0001944500000000 ] - [ -0.0000737400000000, -0.0004111600000000, 0.0001919200000000 ] - [ 0.0007676700000000, -0.0007090600000000, 0.0012109500000000 ] - [ 0.0006475500000000, -0.0000466600000000, 0.0003379300000000 ] - [ 0.0007144300000000, -0.0002184300000000, 0.0000728900000000 ] - [ 0.0007352900000000, 0.0001451900000000, 0.0004354300000000 ] - [ 0.0003717600000000, -0.0000208600000000, -0.0002224000000000 ] - [ 0.0000770100000000, -0.0003586200000000, -0.0010596400000000 ] - [ -0.0000458300000000, -0.0001402200000000, -0.0002637500000000 ] - [ -0.0000718100000000, -0.0001053100000000, -0.0002388700000000 ] - [ -0.0005231000000000, 0.0008693900000000, -0.0001832900000000 ] - [ -0.0000437500000000, 0.0008499700000000, -0.0002205200000000 ] - [ -0.0011736500000000, 0.0003104100000000, 0.0009811500000000 ] - [ 0.0000465900000000, 0.0009354000000000, -0.0000361400000000 ] - [ 0.1377259100000000, -0.0472895600000000, -0.1613894200000000 ] - [ -0.0009828700000000, 0.0002137600000000, 0.0003289100000000 ] - [ -0.0002674800000000, -0.0001191700000000, 0.0003590100000000 ] - [ -0.0002679100000000, -0.0000624900000000, 0.0003438500000000 ] - [ -0.0141201200000000, 0.0020048100000000, -0.0158985600000000 ] - [ 0.0001135900000000, -0.0009758600000000, -0.0010253100000000 ] - [ 0.0003736600000000, 0.0008914800000000, 0.0000809900000000 ] - [ 0.0004580200000000, 0.0009328800000000, 0.0000602200000000 ] - [ -0.0002564300000000, 0.0017416200000000, 0.0004454500000000 ] - [ 0.0003718300000000, 0.0002603800000000, -0.0002113000000000 ] - [ 0.0025305700000000, -0.0004504200000000, -0.0010756500000000 ] - [ -0.0006960100000000, -0.0005040700000000, -0.0002302700000000 ] - [ -0.0002093600000000, 0.0007710900000000, -0.0004153500000000 ] - [ -0.0000189400000000, 0.0004950800000000, -0.0002078700000000 ] - [ 0.0017066200000000, -0.0001985400000000, 0.0007382200000000 ] - [ -0.0062898300000000, 0.0003954000000000, -0.0015476100000000 ] - [ -0.0003457000000000, 0.0021947500000000, 0.0012689900000000 ] - [ -0.0009464600000000, -0.0004609800000000, 0.0007895300000000 ] - [ -0.0002430800000000, 0.0061413600000000, 0.0174716700000000 ] - [ -0.0018018700000000, -0.0019284500000000, 0.0013003900000000 ] - [ 0.0021831200000000, 0.0068175900000000, 0.0000327600000000 ] - [ -0.0003350100000000, 0.0003470600000000, -0.0001006300000000 ] - [ -0.0000988300000000, 0.0015694500000000, 0.0000519300000000 ] - [ -0.0005248500000000, 0.0002124800000000, 0.0006228700000000 ] - [ -0.0003652400000000, 0.0006254800000000, 0.0004231300000000 ] - [ -0.0003487300000000, 0.0005840500000000, 0.0003817700000000 ] - [ -0.0008803400000000, -0.0015175400000000, 0.0007884400000000 ] - [ -0.0008693400000000, -0.0002280700000000, 0.0008027900000000 ] - [ 0.0004147700000000, -0.0003192400000000, 0.0000853300000000 ] - [ 0.0004015900000000, -0.0004142600000000, 0.0000965000000000 ] - [ 0.0009524300000000, 0.0004847700000000, -0.0004443800000000 ] - [ -0.0027708800000000, -0.0007798000000000, -0.0004654900000000 ] - [ -0.0004414800000000, 0.0006900300000000, 0.0005783600000000 ] - [ 0.0002341900000000, 0.0003735900000000, -0.0000455600000000 ] - [ 0.0001142700000000, -0.0001905600000000, -0.0000208000000000 ] - [ 0.0002417200000000, -0.0002154500000000, 0.0001059000000000 ] - [ -0.0001133700000000, 0.0023005900000000, -0.0003336100000000 ] - [ -0.0001791800000000, 0.0000321600000000, -0.0004745800000000 ] - [ -0.0002585200000000, -0.0001183700000000, -0.0004341500000000 ] - [ -0.0001213600000000, -0.0000145200000000, -0.0000747100000000 ] - [ -0.0005880100000000, 0.0003776300000000, 0.0003313900000000 ] - [ -0.0003461700000000, -0.0000506500000000, 0.0008423000000000 ] - [ -0.0001406200000000, -0.0000654300000000, -0.0000594600000000 ] - [ -0.0000546000000000, -0.0001255800000000, -0.0000157500000000 ] - [ 0.0010600500000000, -0.0018758300000000, -0.0007952400000000 ] - [ -0.0008001200000000, -0.0015865600000000, -0.0000703100000000 ] - [ -0.0087705600000000, -0.0058628700000000, -0.0017769800000000 ] - [ 0.0031477500000000, 0.0023961700000000, 0.0013568200000000 ] - [ 0.0016109200000000, -0.0036281600000000, -0.0002736300000000 ] - [ 0.0000244900000000, -0.0008129700000000, 0.0000342200000000 ] - [ 0.0001355200000000, 0.0002792900000000, -0.0001836800000000 ] - [ -0.0002741600000000, 0.0005244200000000, -0.0004509200000000 ] - [ -0.0001815300000000, 0.0002669600000000, -0.0004543400000000 ] - [ 0.0002950800000000, -0.0002463800000000, -0.0005806200000000 ] - [ 0.0027886100000000, 0.0027704200000000, 0.0013350100000000 ] - [ -0.0040354200000000, 0.0002691000000000, 0.0000601200000000 ] - [ 0.0000737700000000, 0.0012780800000000, -0.0007388500000000 ] - [ 0.0000160200000000, -0.0000038500000000, -0.0003371600000000 ] - [ -0.0000232800000000, -0.0005255900000000, -0.0001452900000000 ] - [ 0.0001468000000000, -0.0005066200000000, -0.0005423700000000 ]- atom: 45 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0002922000000000, -0.0004717600000000, -0.0003515400000000 ] - [ -0.0002975100000000, -0.0006349400000000, -0.0001209900000000 ] - [ -0.0003086600000000, 0.0083439200000000, 0.0001485500000000 ] - [ -0.0003254100000000, 0.0005585300000000, -0.0003284400000000 ] - [ -0.0003563300000000, 0.0023189500000000, -0.0004447200000000 ] - [ 0.0000256400000000, 0.0008295500000000, -0.0003430300000000 ] - [ 0.0001654200000000, -0.0006029600000000, -0.0003394100000000 ] - [ 0.0001664900000000, -0.0003756000000000, -0.0002706100000000 ] - [ -0.0002810400000000, -0.0012698400000000, 0.0003280200000000 ] - [ -0.0003040300000000, -0.0012902500000000, 0.0003091900000000 ] - [ 0.0036822900000000, 0.3550184600000000, 0.0013525100000000 ] - [ -0.0002002000000000, 0.0012117900000000, 0.0002892500000000 ] - [ 0.0008425900000000, -0.0005183700000000, 0.0004885800000000 ] - [ 0.0008509800000000, -0.0015215900000000, 0.0016349400000000 ] - [ 0.0012373400000000, 0.0003961800000000, 0.0005431100000000 ] - [ 0.0008412700000000, 0.0004113500000000, 0.0005670100000000 ] - [ -0.0002481200000000, -0.0002387300000000, 0.0000094900000000 ] - [ -0.0002545400000000, -0.0004239400000000, 0.0004128000000000 ] - [ -0.0390215700000000, 0.0576684600000000, 0.0574662400000000 ] - [ -0.0002874200000000, 0.0002887300000000, 0.0001634800000000 ] - [ -0.0000234100000000, 0.0002138500000000, 0.0003936600000000 ] - [ 0.0003511000000000, 0.0000426300000000, -0.0010055100000000 ] - [ -0.0001532600000000, -0.0002413800000000, -0.0001469000000000 ] - [ -0.0001208500000000, -0.0001128200000000, -0.0002052300000000 ] - [ 0.0002327900000000, -0.0021758200000000, -0.0003999000000000 ] - [ 0.0001924000000000, -0.0017501900000000, -0.0003595800000000 ] - [ 0.0011365200000000, 0.0022123500000000, 0.0007001800000000 ] - [ -0.0000971800000000, 0.0019183500000000, -0.0011064100000000 ] - [ -0.0000326300000000, 0.0034434400000000, 0.0009612700000000 ] - [ 0.0003725600000000, 0.0027468200000000, -0.0003788700000000 ] - [ 0.0000862200000000, -0.0018616000000000, 0.0000894300000000 ] - [ 0.0000534700000000, -0.0014002000000000, 0.0001131000000000 ] - [ 0.0005562100000000, -0.0014512900000000, 0.0019462800000000 ] - [ 0.0004972700000000, -0.0001094200000000, -0.0003779500000000 ] - [ 0.0005562800000000, -0.0017262800000000, -0.0011056400000000 ] - [ 0.0007219300000000, -0.0001742200000000, 0.0001988700000000 ] - [ -0.0001339700000000, 0.0000356500000000, 0.0001868700000000 ] - [ 0.0016447200000000, 0.0008566000000000, -0.0045482400000000 ] - [ 0.0001054200000000, -0.0005151400000000, -0.0004547100000000 ] - [ 0.0000698400000000, -0.0003474900000000, -0.0005894800000000 ] - [ -0.0013273000000000, 0.0028951900000000, -0.0003660500000000 ] - [ -0.0003789600000000, 0.0020427100000000, -0.0005256400000000 ] - [ -0.0008842600000000, 0.0007602900000000, 0.0009786200000000 ] - [ 0.0003967900000000, 0.0017005700000000, -0.0010812200000000 ] - [ 0.0504881700000000, -0.4622868100000000, -0.0627783700000000 ] - [ -0.0001866300000000, -0.0009727900000000, 0.0004871100000000 ] - [ -0.0000326900000000, 0.0010539700000000, 0.0005013600000000 ] - [ -0.0000910600000000, 0.0010511100000000, 0.0000283400000000 ] - [ -0.0016900000000000, -0.0061218300000000, -0.0020662700000000 ] - [ 0.0005156500000000, -0.0032484100000000, 0.0002967900000000 ] - [ 0.0004142400000000, 0.0017885700000000, 0.0000924000000000 ] - [ 0.0004481700000000, 0.0023906700000000, -0.0000880200000000 ] - [ -0.0023972400000000, 0.0052117100000000, 0.0010847200000000 ] - [ 0.0003803600000000, 0.0008222300000000, 0.0000609600000000 ] - [ 0.0003759800000000, 0.0006925500000000, 0.0037970200000000 ] - [ -0.0008537300000000, -0.0009178500000000, -0.0008335600000000 ] - [ -0.0001951700000000, 0.0019043000000000, 0.0006161300000000 ] - [ -0.0001161200000000, 0.0018223600000000, -0.0011244800000000 ] - [ 0.0006988900000000, -0.0015969100000000, 0.0011110100000000 ] - [ -0.0014755700000000, -0.0023327200000000, -0.0012518200000000 ] - [ -0.0011073300000000, 0.0004245600000000, 0.0012888700000000 ] - [ 0.0016743400000000, 0.0009005500000000, -0.0018302000000000 ] - [ -0.0035189100000000, -0.0034923300000000, 0.0101568200000000 ] - [ -0.0006979800000000, -0.0040595900000000, -0.0008187900000000 ] - [ -0.0117431100000000, 0.0378364500000000, -0.0027357700000000 ] - [ 0.0000777700000000, -0.0004818300000000, -0.0001298100000000 ] - [ 0.0001079800000000, 0.0057171900000000, -0.0030393900000000 ] - [ -0.0004688800000000, 0.0004177400000000, 0.0010599900000000 ] - [ -0.0005985400000000, 0.0020232700000000, 0.0004738000000000 ] - [ -0.0005545700000000, 0.0015486100000000, 0.0004743000000000 ] - [ -0.0002120700000000, -0.0022336400000000, -0.0011167600000000 ] - [ -0.0014748500000000, -0.0022151800000000, 0.0034276900000000 ] - [ 0.0004262700000000, 0.0008989800000000, 0.0000843500000000 ] - [ 0.0004137500000000, 0.0006943100000000, 0.0002043100000000 ] - [ 0.0004217500000000, -0.0007503200000000, -0.0002515600000000 ] - [ 0.0011079000000000, -0.0008080100000000, 0.0010002800000000 ] - [ -0.0041485800000000, 0.0039541700000000, 0.0002004200000000 ] - [ 0.0002853100000000, 0.0003697800000000, 0.0000721800000000 ] - [ 0.0005650200000000, 0.0009004100000000, -0.0009530200000000 ] - [ 0.0002747200000000, 0.0005117400000000, 0.0006224000000000 ] - [ -0.0020813300000000, 0.0007196900000000, -0.0041253500000000 ] - [ 0.0000333700000000, -0.0001993300000000, 0.0004665700000000 ] - [ -0.0003664800000000, 0.0008017300000000, -0.0007181600000000 ] - [ -0.0000784800000000, 0.0016039600000000, 0.0007109000000000 ] - [ -0.0007251700000000, 0.0012033300000000, -0.0000910700000000 ] - [ -0.0004971000000000, 0.0014608100000000, 0.0020362500000000 ] - [ 0.0000454300000000, 0.0013606900000000, -0.0000179500000000 ] - [ 0.0002724100000000, 0.0015433400000000, 0.0006340500000000 ] - [ 0.0031966500000000, -0.0048309500000000, -0.0026880300000000 ] - [ -0.0005144700000000, -0.0029414100000000, 0.0004423200000000 ] - [ -0.0007485800000000, -0.0002419300000000, -0.0051954000000000 ] - [ -0.0005355100000000, 0.0050016700000000, 0.0027683500000000 ] - [ 0.0112661500000000, -0.0110060400000000, 0.0122766200000000 ] - [ -0.0004137200000000, -0.0006946700000000, -0.0009704600000000 ] - [ -0.0002158200000000, -0.0015227900000000, 0.0005049600000000 ] - [ -0.0003098100000000, -0.0021432800000000, -0.0017153900000000 ] - [ -0.0008206100000000, -0.0035030500000000, -0.0009153500000000 ] - [ 0.0002640600000000, -0.0012352000000000, -0.0002109000000000 ] - [ 0.0004545200000000, 0.0016314400000000, -0.0010137100000000 ] - [ -0.0027107800000000, 0.0104164000000000, -0.0039599200000000 ] - [ -0.0021628200000000, -0.0012686100000000, 0.0011381200000000 ] - [ -0.0000186800000000, 0.0003576100000000, -0.0011375600000000 ] - [ -0.0001350200000000, -0.0020322400000000, 0.0008104900000000 ] - [ 0.0002318700000000, -0.0025987300000000, -0.0015842000000000 ]- atom: 45 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0001172700000000, 0.0001294900000000, -0.0000967200000000 ] - [ -0.0001129600000000, 0.0002945700000000, -0.0003289900000000 ] - [ -0.0001706800000000, -0.0079222500000000, -0.0006190600000000 ] - [ -0.0000907200000000, -0.0002101900000000, -0.0001310700000000 ] - [ 0.0007190500000000, -0.0037687400000000, -0.0002316400000000 ] - [ 0.0003350100000000, -0.0022794800000000, -0.0003435400000000 ] - [ 0.0001962300000000, 0.0020638500000000, -0.0003410900000000 ] - [ 0.0001953100000000, 0.0018361400000000, -0.0004102200000000 ] - [ 0.0000653500000000, 0.0015778300000000, 0.0001015900000000 ] - [ 0.0000883200000000, 0.0016032100000000, 0.0001200200000000 ] - [ -0.0050647200000000, -0.3274036600000000, 0.0009024600000000 ] - [ -0.0000160600000000, -0.0015138200000000, 0.0001363300000000 ] - [ 0.0006182400000000, 0.0001171800000000, 0.0004103900000000 ] - [ 0.0006072500000000, 0.0011442000000000, -0.0007595700000000 ] - [ 0.0002205700000000, -0.0000037000000000, 0.0003531300000000 ] - [ 0.0006205100000000, -0.0000353900000000, 0.0002967200000000 ] - [ 0.0000568900000000, 0.0003489100000000, -0.0003754700000000 ] - [ 0.0000609400000000, 0.0005363900000000, -0.0007754300000000 ] - [ 0.0380775800000000, -0.0558703700000000, -0.0566751900000000 ] - [ 0.0001003900000000, -0.0004020900000000, -0.0005444800000000 ] - [ -0.0003879100000000, -0.0005531000000000, -0.0008434300000000 ] - [ -0.0007537800000000, -0.0003905200000000, 0.0005564200000000 ] - [ -0.0002560800000000, 0.0005860100000000, -0.0003006700000000 ] - [ -0.0002899800000000, 0.0004574800000000, -0.0002445800000000 ] - [ 0.0001286900000000, 0.0007205200000000, -0.0002804000000000 ] - [ 0.0001691500000000, 0.0002928400000000, -0.0003212100000000 ] - [ -0.0007622700000000, -0.0007359600000000, -0.0013666400000000 ] - [ 0.0004535500000000, -0.0004668200000000, 0.0004160700000000 ] - [ -0.0001820500000000, -0.0030970000000000, -0.0005260300000000 ] - [ -0.0005739100000000, -0.0024399000000000, 0.0007840700000000 ] - [ -0.0003021800000000, 0.0015567700000000, 0.0003402400000000 ] - [ -0.0002693300000000, 0.0010928400000000, 0.0003163100000000 ] - [ 0.0009034300000000, 0.0010675800000000, -0.0010662300000000 ] - [ 0.0009624500000000, -0.0002828000000000, 0.0012644300000000 ] - [ 0.0009035500000000, 0.0021200400000000, 0.0019937400000000 ] - [ 0.0007374200000000, 0.0005613000000000, 0.0006821100000000 ] - [ -0.0000545600000000, 0.0000788400000000, -0.0005599100000000 ] - [ -0.0018393000000000, -0.0007767500000000, 0.0041979100000000 ] - [ -0.0002987200000000, 0.0004079000000000, 0.0000928500000000 ] - [ -0.0002620200000000, 0.0002392200000000, 0.0002253600000000 ] - [ 0.0010471000000000, -0.0020178300000000, 0.0001188000000000 ] - [ 0.0000928900000000, -0.0011607400000000, 0.0002879000000000 ] - [ -0.0000058600000000, -0.0003472600000000, 0.0002618900000000 ] - [ -0.0012933000000000, -0.0012969000000000, 0.0023614700000000 ] - [ -0.0491598600000000, 0.4328452500000000, 0.0599559600000000 ] - [ -0.0004276400000000, 0.0016440100000000, 0.0003095100000000 ] - [ -0.0005813100000000, -0.0017234600000000, 0.0002701700000000 ] - [ -0.0005194000000000, -0.0017286000000000, 0.0007415900000000 ] - [ 0.0025525300000000, 0.0047973600000000, 0.0022607500000000 ] - [ 0.0003051900000000, 0.0019762600000000, -0.0001191100000000 ] - [ 0.0003935100000000, -0.0005159800000000, 0.0000643100000000 ] - [ 0.0003604100000000, -0.0011229800000000, 0.0002438900000000 ] - [ 0.0027467900000000, -0.0044914500000000, -0.0009844400000000 ] - [ -0.0000635900000000, -0.0000388800000000, 0.0000637600000000 ] - [ -0.0000347300000000, -0.0014543200000000, -0.0037223500000000 ] - [ 0.0011700500000000, 0.0001322500000000, 0.0009534200000000 ] - [ -0.0001364400000000, -0.0011637100000000, -0.0013087300000000 ] - [ -0.0002120500000000, -0.0010885000000000, 0.0004619600000000 ] - [ -0.0010040500000000, 0.0008770300000000, -0.0017464700000000 ] - [ 0.0011416100000000, 0.0015968200000000, 0.0005630800000000 ] - [ 0.0002161200000000, -0.0007763100000000, -0.0000131600000000 ] - [ -0.0025812100000000, -0.0013268300000000, 0.0030989400000000 ] - [ 0.0031871400000000, 0.0027285700000000, -0.0101284900000000 ] - [ 0.0003910900000000, 0.0031553600000000, 0.0005888000000000 ] - [ 0.0114892400000000, -0.0367372200000000, 0.0025576600000000 ] - [ -0.0003645300000000, 0.0013625500000000, -0.0001044000000000 ] - [ -0.0009986800000000, -0.0053172000000000, 0.0043034100000000 ] - [ -0.0004215800000000, -0.0000055300000000, 0.0002022100000000 ] - [ -0.0000122200000000, -0.0013484800000000, 0.0002934200000000 ] - [ -0.0000569900000000, -0.0008720900000000, 0.0002966100000000 ] - [ -0.0004025000000000, 0.0015458500000000, 0.0018884800000000 ] - [ 0.0008572600000000, 0.0015652700000000, -0.0026484000000000 ] - [ 0.0003811300000000, -0.0021692500000000, 0.0000704900000000 ] - [ 0.0003956500000000, -0.0019624600000000, -0.0000465900000000 ] - [ 0.0003868800000000, 0.0020168900000000, 0.0004152200000000 ] - [ -0.0002967200000000, 0.0020913700000000, -0.0008506000000000 ] - [ 0.0044798000000000, -0.0031767600000000, -0.0000890600000000 ] - [ 0.0000349600000000, 0.0004099800000000, 0.0000465500000000 ] - [ -0.0002435900000000, -0.0016750800000000, 0.0010665900000000 ] - [ 0.0000475000000000, -0.0012842900000000, -0.0005106100000000 ] - [ 0.0017521400000000, 0.0000116100000000, 0.0034536000000000 ] - [ -0.0003595200000000, 0.0009457200000000, -0.0011319900000000 ] - [ 0.0000386300000000, -0.0015358700000000, 0.0000493500000000 ] - [ -0.0002524200000000, -0.0023405600000000, -0.0013880000000000 ] - [ -0.0001676000000000, -0.0016072200000000, 0.0013534000000000 ] - [ -0.0003974700000000, -0.0018619300000000, -0.0007818200000000 ] - [ -0.0003319800000000, -0.0022417200000000, -0.0002249500000000 ] - [ -0.0005590500000000, -0.0024229300000000, -0.0008767300000000 ] - [ -0.0034001400000000, 0.0029389500000000, 0.0022859100000000 ] - [ 0.0003367600000000, 0.0010418900000000, -0.0008957100000000 ] - [ 0.0004385700000000, 0.0019954200000000, 0.0046922100000000 ] - [ 0.0003675100000000, -0.0030812400000000, -0.0031867400000000 ] - [ -0.0115126700000000, 0.0091330600000000, -0.0127673800000000 ] - [ 0.0002284900000000, -0.0012088700000000, 0.0005182100000000 ] - [ 0.0000339900000000, 0.0034269000000000, -0.0009461900000000 ] - [ 0.0001294500000000, 0.0040427800000000, 0.0012817300000000 ] - [ 0.0009966200000000, 0.0037679800000000, 0.0001678600000000 ] - [ -0.0000929100000000, 0.0014921900000000, -0.0005713300000000 ] - [ -0.0002624100000000, -0.0019051900000000, 0.0002370600000000 ] - [ 0.0029712100000000, -0.0107415600000000, 0.0035010900000000 ] - [ 0.0023351500000000, 0.0015095800000000, -0.0018924700000000 ] - [ 0.0001872400000000, -0.0001083200000000, 0.0003586600000000 ] - [ 0.0003062000000000, 0.0017802000000000, -0.0015804800000000 ] - [ -0.0000617400000000, 0.0023459000000000, 0.0008216600000000 ]- atom: 45 displacement: [ -0.0049439770564842, 0.0000000000000000, 0.0086923581877968 ] forces: - [ -0.0001888600000000, -0.0003204000000000, -0.0002923600000000 ] - [ -0.0002266900000000, -0.0001129700000000, -0.0001687200000000 ] - [ -0.0051903800000000, 0.0006127100000000, 0.0056717500000000 ] - [ -0.0007974200000000, 0.0006955700000000, -0.0014448500000000 ] - [ 0.0010762900000000, -0.0007622200000000, 0.0006769600000000 ] - [ -0.0000256700000000, 0.0002001600000000, -0.0010383100000000 ] - [ 0.0001675500000000, 0.0003311100000000, -0.0003262500000000 ] - [ 0.0001935000000000, 0.0007520800000000, -0.0003451600000000 ] - [ -0.0001444700000000, -0.0001554800000000, 0.0002623200000000 ] - [ -0.0001173400000000, 0.0000211700000000, 0.0002061200000000 ] - [ -0.0226566900000000, 0.0309753200000000, 0.0413001900000000 ] - [ -0.0001377600000000, 0.0000379100000000, -0.0001942400000000 ] - [ 0.0009301800000000, -0.0019045800000000, 0.0021140000000000 ] - [ 0.0005995800000000, 0.0009795600000000, -0.0005877000000000 ] - [ 0.0014017100000000, 0.0013240100000000, 0.0026192200000000 ] - [ 0.0009528600000000, -0.0015370800000000, -0.0020353200000000 ] - [ -0.0001186500000000, -0.0001337100000000, -0.0003331000000000 ] - [ -0.0001346700000000, 0.0001214400000000, 0.0000417000000000 ] - [ -0.1671321200000000, 0.0313055400000000, 0.2601468600000000 ] - [ 0.0005661000000000, -0.0008284100000000, -0.0026607900000000 ] - [ -0.0006442000000000, 0.0002225500000000, -0.0007397100000000 ] - [ 0.0004795200000000, -0.0005017400000000, -0.0000571200000000 ] - [ -0.0001672300000000, 0.0001060300000000, -0.0001336200000000 ] - [ -0.0002194700000000, 0.0001314500000000, -0.0002945300000000 ] - [ 0.0001858600000000, -0.0009041500000000, -0.0003295100000000 ] - [ 0.0001697000000000, -0.0009416400000000, -0.0003626300000000 ] - [ 0.0002255700000000, 0.0020590400000000, -0.0000559100000000 ] - [ -0.0001445000000000, -0.0001177200000000, -0.0009649700000000 ] - [ 0.0009528200000000, 0.0048020100000000, -0.0008262000000000 ] - [ 0.0006593100000000, -0.0006958700000000, -0.0010814200000000 ] - [ -0.0000686400000000, -0.0003544600000000, 0.0002260000000000 ] - [ -0.0000983800000000, -0.0003674600000000, 0.0001702700000000 ] - [ 0.0006777300000000, -0.0001800400000000, 0.0005233500000000 ] - [ 0.0006884400000000, -0.0004423800000000, 0.0004604600000000 ] - [ 0.0007060900000000, -0.0000308300000000, 0.0002954300000000 ] - [ 0.0007305300000000, 0.0000358100000000, 0.0002532300000000 ] - [ 0.0005026500000000, 0.0004279200000000, -0.0014169000000000 ] - [ 0.0002049500000000, -0.0014944400000000, -0.0004760400000000 ] - [ -0.0000787500000000, -0.0001058600000000, -0.0001336500000000 ] - [ -0.0000537100000000, -0.0001152000000000, -0.0003333200000000 ] - [ -0.0002845300000000, 0.0008231500000000, -0.0008448800000000 ] - [ -0.0000233200000000, 0.0004772800000000, 0.0005485700000000 ] - [ -0.0005159400000000, 0.0006220800000000, -0.0014322500000000 ] - [ -0.0009598500000000, -0.0000302000000000, 0.0036117300000000 ] - [ 0.2023335200000000, -0.0729079400000000, -0.3463763700000000 ] - [ -0.0005725700000000, 0.0003600200000000, 0.0035254800000000 ] - [ -0.0002523100000000, 0.0000764200000000, 0.0003909400000000 ] - [ -0.0002654800000000, -0.0003071600000000, 0.0003858700000000 ] - [ 0.0041095600000000, -0.0017677500000000, -0.0011125200000000 ] - [ 0.0016927700000000, -0.0006424000000000, 0.0026296000000000 ] - [ 0.0003958000000000, 0.0009515200000000, 0.0002569300000000 ] - [ 0.0003864500000000, 0.0007812000000000, -0.0001231600000000 ] - [ 0.0006009700000000, -0.0001820500000000, -0.0021335900000000 ] - [ -0.0004105700000000, 0.0011257700000000, 0.0016172600000000 ] - [ 0.0030842400000000, 0.0030636200000000, -0.0000970900000000 ] - [ 0.0001575100000000, -0.0019469600000000, 0.0008719500000000 ] - [ -0.0004711900000000, 0.0011871700000000, -0.0021519500000000 ] - [ 0.0000679100000000, -0.0000308900000000, 0.0010378600000000 ] - [ 0.0028494100000000, 0.0008069400000000, 0.0046201100000000 ] - [ -0.0023180000000000, -0.0013327800000000, -0.0026997900000000 ] - [ -0.0007550200000000, 0.0063193400000000, 0.0032269700000000 ] - [ -0.0012474000000000, -0.0027574300000000, 0.0002236300000000 ] - [ -0.0072387800000000, 0.0143156900000000, 0.0348586100000000 ] - [ -0.0041283900000000, -0.0024312600000000, 0.0039534400000000 ] - [ 0.0000473400000000, 0.0071076700000000, -0.0048826200000000 ] - [ -0.0002178000000000, -0.0000972400000000, 0.0011125800000000 ] - [ -0.0003946300000000, 0.0015756200000000, -0.0006616600000000 ] - [ -0.0004300400000000, 0.0002846700000000, 0.0010738400000000 ] - [ -0.0003681600000000, 0.0005539900000000, 0.0002929500000000 ] - [ -0.0003242300000000, 0.0005349200000000, 0.0005098900000000 ] - [ -0.0009489200000000, -0.0035528600000000, 0.0012397200000000 ] - [ -0.0009350300000000, 0.0010277100000000, 0.0012383200000000 ] - [ 0.0004073300000000, -0.0002860000000000, 0.0000080800000000 ] - [ 0.0004029500000000, -0.0005403300000000, 0.0001632000000000 ] - [ 0.0007653200000000, -0.0002171700000000, 0.0010847500000000 ] - [ -0.0004642400000000, 0.0008664900000000, -0.0012469800000000 ] - [ -0.0003006600000000, 0.0008459900000000, -0.0002763300000000 ] - [ 0.0001528300000000, 0.0003003600000000, 0.0005674700000000 ] - [ 0.0001757200000000, -0.0003952300000000, -0.0000772000000000 ] - [ 0.0002107800000000, -0.0001011300000000, 0.0001443900000000 ] - [ -0.0008247500000000, -0.0002960600000000, -0.0016447000000000 ] - [ 0.0002058700000000, 0.0010039400000000, 0.0004689800000000 ] - [ -0.0001672400000000, -0.0001585300000000, -0.0002256200000000 ] - [ -0.0001823000000000, -0.0000819800000000, -0.0003005700000000 ] - [ -0.0005070900000000, -0.0001283300000000, 0.0006823300000000 ] - [ -0.0004321900000000, 0.0002042500000000, 0.0006658100000000 ] - [ -0.0001483000000000, -0.0001623700000000, -0.0001545600000000 ] - [ -0.0000724500000000, -0.0001424900000000, 0.0000383500000000 ] - [ -0.0003376500000000, -0.0015036300000000, 0.0022330400000000 ] - [ 0.0004022300000000, -0.0008546500000000, -0.0024280200000000 ] - [ -0.0140268900000000, -0.0146958500000000, -0.0085392500000000 ] - [ 0.0035068000000000, 0.0050768500000000, 0.0012325500000000 ] - [ 0.0023990600000000, -0.0023235100000000, 0.0026076600000000 ] - [ -0.0005567200000000, -0.0008306500000000, -0.0019567500000000 ] - [ -0.0000436500000000, 0.0008074500000000, -0.0002507600000000 ] - [ -0.0001309500000000, 0.0002886700000000, -0.0003588700000000 ] - [ -0.0001434300000000, -0.0005571700000000, 0.0017977400000000 ] - [ 0.0002491600000000, 0.0000705100000000, -0.0026230500000000 ] - [ 0.0027679600000000, -0.0016875400000000, -0.0017940000000000 ] - [ 0.0002845000000000, -0.0014953400000000, 0.0083225400000000 ] - [ -0.0000600300000000, 0.0008117500000000, 0.0012582800000000 ] - [ -0.0000529700000000, -0.0000769000000000, -0.0017416000000000 ] - [ 0.0000078400000000, -0.0003016000000000, -0.0002139000000000 ] - [ 0.0001245500000000, -0.0005823900000000, -0.0004889000000000 ]- atom: 45 displacement: [ 0.0049439770564842, 0.0000000000000000, -0.0086923581877968 ] forces: - [ -0.0002185400000000, -0.0000210200000000, -0.0001534400000000 ] - [ -0.0001800700000000, -0.0002257400000000, -0.0002790800000000 ] - [ 0.0047711900000000, -0.0003005900000000, -0.0062209900000000 ] - [ 0.0003879200000000, -0.0003516300000000, 0.0009930600000000 ] - [ -0.0007153000000000, -0.0007131200000000, -0.0013611800000000 ] - [ 0.0003878100000000, -0.0016624200000000, 0.0003541300000000 ] - [ 0.0001944600000000, 0.0011370800000000, -0.0003543000000000 ] - [ 0.0001684800000000, 0.0007130700000000, -0.0003362800000000 ] - [ -0.0000695300000000, 0.0004700400000000, 0.0001669600000000 ] - [ -0.0000964900000000, 0.0002963100000000, 0.0002230000000000 ] - [ 0.0230364700000000, -0.0341480100000000, -0.0418759500000000 ] - [ -0.0000774400000000, -0.0003502100000000, 0.0006214800000000 ] - [ 0.0005300700000000, 0.0015062700000000, -0.0012170200000000 ] - [ 0.0008599100000000, -0.0013596800000000, 0.0014636200000000 ] - [ 0.0000459200000000, -0.0009289600000000, -0.0017276700000000 ] - [ 0.0005083500000000, 0.0019179300000000, 0.0029064700000000 ] - [ -0.0000708000000000, 0.0002447300000000, -0.0000330700000000 ] - [ -0.0000556400000000, -0.0000073900000000, -0.0004106400000000 ] - [ 0.1808160600000000, -0.0375595200000000, -0.2820581200000000 ] - [ -0.0007496400000000, 0.0007105300000000, 0.0022754800000000 ] - [ 0.0002361500000000, -0.0005661300000000, 0.0002913800000000 ] - [ -0.0008896100000000, 0.0001542100000000, -0.0003865900000000 ] - [ -0.0002405400000000, 0.0002398500000000, -0.0003128800000000 ] - [ -0.0001896800000000, 0.0002137500000000, -0.0001531800000000 ] - [ 0.0001755800000000, -0.0005459500000000, -0.0003506800000000 ] - [ 0.0001919700000000, -0.0005110900000000, -0.0003181300000000 ] - [ 0.0001389900000000, -0.0005971800000000, -0.0006239600000000 ] - [ 0.0005043700000000, 0.0015643300000000, 0.0002837400000000 ] - [ -0.0011716800000000, -0.0044876600000000, 0.0012681300000000 ] - [ -0.0008694600000000, 0.0009819500000000, 0.0015027000000000 ] - [ -0.0001476000000000, 0.0000595800000000, 0.0002046200000000 ] - [ -0.0001174300000000, 0.0000672200000000, 0.0002599900000000 ] - [ 0.0007835500000000, -0.0001999400000000, 0.0003500000000000 ] - [ 0.0007733800000000, 0.0000494400000000, 0.0004312600000000 ] - [ 0.0007550300000000, 0.0004347000000000, 0.0006006800000000 ] - [ 0.0007293300000000, 0.0003555600000000, 0.0006317100000000 ] - [ -0.0006934400000000, -0.0003164300000000, 0.0010481000000000 ] - [ -0.0004115700000000, 0.0015860800000000, 0.0001531600000000 ] - [ -0.0001133500000000, -0.0000001300000000, -0.0002289800000000 ] - [ -0.0001374700000000, 0.0000075500000000, -0.0000299700000000 ] - [ 0.0000056300000000, 0.0000422800000000, 0.0005984600000000 ] - [ -0.0002653900000000, 0.0003990400000000, -0.0007902000000000 ] - [ -0.0003735800000000, -0.0002200600000000, 0.0026784100000000 ] - [ 0.0000623500000000, 0.0004325300000000, -0.0023357300000000 ] - [ -0.2176527700000000, 0.0831832300000000, 0.3697384600000000 ] - [ -0.0000457000000000, 0.0003218800000000, -0.0027270600000000 ] - [ -0.0003638800000000, -0.0007548900000000, 0.0003845400000000 ] - [ -0.0003486100000000, -0.0003751400000000, 0.0003948600000000 ] - [ -0.0032720500000000, 0.0005028100000000, 0.0013415400000000 ] - [ -0.0008797400000000, -0.0006169400000000, -0.0024628300000000 ] - [ 0.0004100800000000, 0.0003122100000000, -0.0001032100000000 ] - [ 0.0004181200000000, 0.0004765800000000, 0.0002785100000000 ] - [ -0.0002472200000000, 0.0008972800000000, 0.0022301100000000 ] - [ 0.0007326900000000, -0.0003505800000000, -0.0015024900000000 ] - [ -0.0027496800000000, -0.0038359300000000, 0.0001559100000000 ] - [ 0.0001683200000000, 0.0011657200000000, -0.0007522600000000 ] - [ 0.0001412000000000, -0.0004597700000000, 0.0014553100000000 ] - [ -0.0003960000000000, 0.0007582300000000, -0.0017051500000000 ] - [ -0.0031672200000000, -0.0015207100000000, -0.0052834100000000 ] - [ 0.0019897700000000, 0.0006013400000000, 0.0020263800000000 ] - [ -0.0001300800000000, -0.0066943600000000, -0.0019635800000000 ] - [ 0.0003474400000000, 0.0023414400000000, 0.0010425300000000 ] - [ 0.0070926800000000, -0.0151849700000000, -0.0352563700000000 ] - [ 0.0037942500000000, 0.0015420500000000, -0.0041293700000000 ] - [ -0.0002471100000000, -0.0065080100000000, 0.0046675300000000 ] - [ -0.0000737700000000, 0.0009864400000000, -0.0013565300000000 ] - [ -0.0005055700000000, -0.0012132500000000, 0.0019514700000000 ] - [ -0.0004637300000000, 0.0001211800000000, 0.0001862200000000 ] - [ -0.0002434300000000, 0.0001075100000000, 0.0004827300000000 ] - [ -0.0002880800000000, 0.0001314400000000, 0.0002676000000000 ] - [ 0.0003370600000000, 0.0028836400000000, -0.0004626600000000 ] - [ 0.0003281600000000, -0.0016748900000000, -0.0004771600000000 ] - [ 0.0003976400000000, -0.0009933600000000, 0.0001450200000000 ] - [ 0.0004038400000000, -0.0007356000000000, -0.0000083500000000 ] - [ 0.0000392200000000, 0.0014917800000000, -0.0009260200000000 ] - [ 0.0012701600000000, 0.0004180900000000, 0.0013981300000000 ] - [ 0.0006603700000000, -0.0000961300000000, 0.0003819100000000 ] - [ 0.0001709300000000, 0.0004744400000000, -0.0004561900000000 ] - [ 0.0001463800000000, -0.0003856200000000, 0.0001924100000000 ] - [ 0.0001132600000000, -0.0006756300000000, -0.0000395800000000 ] - [ 0.0005078900000000, 0.0010226800000000, 0.0009937600000000 ] - [ -0.0005345900000000, -0.0002606000000000, -0.0011473500000000 ] - [ -0.0001588600000000, -0.0005822800000000, -0.0004461900000000 ] - [ -0.0001480100000000, -0.0006650600000000, -0.0003831600000000 ] - [ -0.0003865400000000, -0.0002834900000000, 0.0005846000000000 ] - [ -0.0004644800000000, -0.0006160800000000, 0.0005846400000000 ] - [ -0.0001429200000000, -0.0007315200000000, -0.0000919100000000 ] - [ -0.0002207900000000, -0.0007525400000000, -0.0002877300000000 ] - [ 0.0001169400000000, -0.0003637700000000, -0.0026312000000000 ] - [ -0.0005827400000000, -0.0010412000000000, 0.0019780300000000 ] - [ 0.0137217700000000, 0.0164781000000000, 0.0080972700000000 ] - [ -0.0036809700000000, -0.0031554900000000, -0.0016705000000000 ] - [ -0.0026755500000000, 0.0004903400000000, -0.0031391500000000 ] - [ 0.0003759800000000, -0.0010788700000000, 0.0015167400000000 ] - [ -0.0001369700000000, 0.0011137600000000, -0.0001938800000000 ] - [ -0.0000480000000000, 0.0016341000000000, -0.0000689400000000 ] - [ 0.0003252400000000, 0.0008359300000000, -0.0025540300000000 ] - [ -0.0000788300000000, 0.0001893000000000, 0.0018453600000000 ] - [ -0.0025812100000000, 0.0014100200000000, 0.0010281400000000 ] - [ 0.0000202300000000, 0.0010393500000000, -0.0089883800000000 ] - [ 0.0002450300000000, -0.0005648300000000, -0.0020303000000000 ] - [ 0.0002229700000000, 0.0003238000000000, 0.0009744800000000 ] - [ 0.0001643000000000, 0.0000608900000000, -0.0005601600000000 ] - [ 0.0000444900000000, 0.0003447800000000, -0.0002676700000000 ]- atom: 49 displacement: [ 0.0099998839938813, 0.0000000000000000, -0.0000481675089282 ] forces: - [ -0.0001901000000000, -0.0002071900000000, -0.0001853800000000 ] - [ -0.0002116400000000, -0.0001585100000000, -0.0002471200000000 ] - [ 0.1677080500000000, -0.0343138000000000, 0.1803803800000000 ] - [ -0.0007561100000000, 0.0002799900000000, -0.0005107200000000 ] - [ -0.0008647800000000, -0.0009363900000000, 0.0017728700000000 ] - [ 0.0002158300000000, -0.0008248300000000, 0.0006593600000000 ] - [ 0.0001809600000000, 0.0007413300000000, -0.0003341300000000 ] - [ 0.0001789600000000, 0.0007144700000000, -0.0003437400000000 ] - [ -0.0001187800000000, 0.0001699000000000, 0.0002096100000000 ] - [ -0.0001053800000000, 0.0001566500000000, 0.0002113500000000 ] - [ -0.0006190900000000, -0.0039135700000000, -0.0009819200000000 ] - [ -0.0003790400000000, 0.0002905200000000, -0.0003883600000000 ] - [ 0.0005719000000000, -0.0001906300000000, 0.0004589700000000 ] - [ 0.0007250200000000, -0.0000663000000000, 0.0003419500000000 ] - [ 0.0005343500000000, -0.0009894200000000, 0.0009758200000000 ] - [ 0.0011851000000000, 0.0006704900000000, 0.0010866800000000 ] - [ -0.0000688300000000, 0.0000770100000000, -0.0001248800000000 ] - [ -0.0001231900000000, 0.0000682200000000, -0.0001621800000000 ] - [ -0.0042341400000000, 0.0012207200000000, 0.0024022200000000 ] - [ 0.0003835500000000, -0.0002477300000000, -0.0006870600000000 ] - [ -0.0016470600000000, -0.0010086100000000, -0.0001627100000000 ] - [ 0.0006148200000000, -0.0000798200000000, -0.0000780000000000 ] - [ -0.0002084300000000, 0.0001741900000000, -0.0002171900000000 ] - [ -0.0002000000000000, 0.0001700800000000, -0.0002270100000000 ] - [ 0.0001834500000000, -0.0007177400000000, -0.0003335600000000 ] - [ 0.0001856700000000, -0.0007375700000000, -0.0003430800000000 ] - [ 0.0251416200000000, 0.0013770900000000, 0.0186216100000000 ] - [ 0.0000468400000000, 0.0005765900000000, -0.0003597100000000 ] - [ -0.0032405900000000, -0.0004517500000000, -0.0001808200000000 ] - [ 0.0001171100000000, 0.0001417400000000, 0.0001020600000000 ] - [ -0.0000940200000000, -0.0001799500000000, 0.0002054900000000 ] - [ -0.0001127400000000, -0.0001632000000000, 0.0002187800000000 ] - [ 0.0006030800000000, -0.0000899100000000, 0.0008998200000000 ] - [ 0.0006773600000000, -0.0001085000000000, 0.0004268400000000 ] - [ 0.0007061400000000, 0.0001514200000000, 0.0004111500000000 ] - [ 0.0007370900000000, 0.0002365600000000, 0.0004830700000000 ] - [ -0.0003614300000000, 0.0006191600000000, -0.0008725900000000 ] - [ 0.0002162000000000, -0.0000104000000000, -0.0006187700000000 ] - [ -0.0000900200000000, -0.0000548700000000, -0.0001733600000000 ] - [ -0.0000970400000000, -0.0000549600000000, -0.0001931300000000 ] - [ -0.0000049400000000, 0.0006452700000000, -0.0003133200000000 ] - [ -0.0003408800000000, 0.0004604900000000, -0.0000777300000000 ] - [ 0.0000294600000000, 0.0014122500000000, -0.0000535100000000 ] - [ -0.0008482100000000, -0.0004694400000000, 0.0007586000000000 ] - [ 0.0140836400000000, -0.0017837800000000, 0.0128628900000000 ] - [ -0.0000164500000000, 0.0004394700000000, 0.0020100600000000 ] - [ -0.0003614900000000, -0.0003823200000000, 0.0003403200000000 ] - [ -0.0002759000000000, -0.0003457400000000, 0.0003948900000000 ] - [ -0.2099116400000000, 0.0278173500000000, -0.2155959600000000 ] - [ 0.0009784700000000, -0.0005890000000000, 0.0004919400000000 ] - [ 0.0004111600000000, 0.0006789300000000, 0.0000539200000000 ] - [ 0.0004129600000000, 0.0005791200000000, 0.0001127600000000 ] - [ 0.0007748800000000, -0.0000494500000000, -0.0002167700000000 ] - [ -0.0006891000000000, 0.0013379300000000, 0.0011285100000000 ] - [ 0.0014084000000000, -0.0036996500000000, -0.0007077100000000 ] - [ 0.0003615100000000, -0.0001466800000000, -0.0003341200000000 ] - [ 0.0001751900000000, 0.0003970300000000, -0.0003577400000000 ] - [ -0.0002889200000000, 0.0003889300000000, -0.0000235800000000 ] - [ 0.0001520800000000, -0.0013398400000000, -0.0017405600000000 ] - [ 0.0000837400000000, 0.0010484700000000, -0.0027672600000000 ] - [ 0.0008567800000000, -0.0004915700000000, 0.0003651000000000 ] - [ -0.0010682400000000, -0.0001961200000000, 0.0007360400000000 ] - [ 0.0070292800000000, -0.0003343200000000, -0.0009219000000000 ] - [ -0.0008809500000000, -0.0004337100000000, 0.0002672500000000 ] - [ -0.0006709500000000, 0.0026782900000000, 0.0000017200000000 ] - [ 0.0000477500000000, -0.0001294500000000, 0.0003519300000000 ] - [ -0.0004821800000000, 0.0004175000000000, 0.0002105200000000 ] - [ -0.0004938600000000, -0.0000103100000000, 0.0007540000000000 ] - [ -0.0003163900000000, 0.0003544000000000, 0.0003855500000000 ] - [ -0.0003023400000000, 0.0003402800000000, 0.0003880100000000 ] - [ 0.0028792500000000, -0.0010158100000000, 0.0012096400000000 ] - [ -0.0008536400000000, -0.0003530300000000, 0.0004831800000000 ] - [ 0.0004093000000000, -0.0006461400000000, 0.0000636300000000 ] - [ 0.0003996200000000, -0.0006249500000000, 0.0000916300000000 ] - [ 0.0008281300000000, 0.0017407200000000, -0.0012527600000000 ] - [ 0.0008375700000000, -0.0003771000000000, -0.0020562600000000 ] - [ -0.0003650700000000, 0.0005872000000000, 0.0002092800000000 ] - [ 0.0003897700000000, 0.0002962000000000, 0.0000891100000000 ] - [ 0.0000525800000000, -0.0004917100000000, 0.0000720900000000 ] - [ 0.0001963000000000, -0.0003534100000000, 0.0000785400000000 ] - [ -0.0030907800000000, 0.0024505200000000, -0.0012944100000000 ] - [ 0.0000479000000000, 0.0003611300000000, -0.0002632000000000 ] - [ -0.0001918700000000, -0.0003842500000000, -0.0003642000000000 ] - [ -0.0001337800000000, -0.0003740500000000, -0.0003052800000000 ] - [ -0.0005094200000000, -0.0001044100000000, 0.0005016400000000 ] - [ -0.0003429600000000, -0.0002478400000000, 0.0006267900000000 ] - [ -0.0001936400000000, -0.0004691900000000, -0.0001391000000000 ] - [ -0.0001262700000000, -0.0004509100000000, -0.0001069400000000 ] - [ -0.0014823600000000, -0.0014992800000000, 0.0004454500000000 ] - [ 0.0010160100000000, -0.0008669600000000, -0.0008162900000000 ] - [ -0.0040374700000000, 0.0033420400000000, 0.0014520300000000 ] - [ 0.0014551600000000, 0.0003930800000000, 0.0008513300000000 ] - [ 0.0008810300000000, -0.0026116200000000, 0.0003467000000000 ] - [ -0.0005979900000000, -0.0004616400000000, -0.0006017200000000 ] - [ 0.0000908100000000, 0.0009601700000000, -0.0002165600000000 ] - [ -0.0001904200000000, 0.0009283200000000, -0.0002665100000000 ] - [ 0.0005288600000000, 0.0005943200000000, -0.0006368300000000 ] - [ -0.0001666000000000, 0.0000778500000000, -0.0004726000000000 ] - [ 0.0060346700000000, 0.0058212000000000, 0.0051269900000000 ] - [ -0.0005616100000000, 0.0016900300000000, -0.0024823800000000 ] - [ -0.0007625200000000, 0.0014685500000000, 0.0000950200000000 ] - [ 0.0003666500000000, -0.0000660300000000, -0.0003356500000000 ] - [ 0.0000264000000000, -0.0000927500000000, -0.0003140300000000 ] - [ 0.0001227800000000, -0.0001450800000000, -0.0004647000000000 ]- atom: 49 displacement: [ -0.0099998839938813, 0.0000000000000000, 0.0000481675089282 ] forces: - [ -0.0002199300000000, -0.0001353800000000, -0.0002642400000000 ] - [ -0.0001990700000000, -0.0001853500000000, -0.0002033400000000 ] - [ -0.1643423100000000, 0.0315229300000000, -0.1704103100000000 ] - [ 0.0003477800000000, 0.0000626400000000, 0.0000642100000000 ] - [ 0.0012211200000000, -0.0005217000000000, -0.0024530000000000 ] - [ 0.0001574500000000, -0.0006378500000000, -0.0013387600000000 ] - [ 0.0001818700000000, 0.0007196500000000, -0.0003465300000000 ] - [ 0.0001838700000000, 0.0007450700000000, -0.0003368000000000 ] - [ -0.0000949100000000, 0.0001443200000000, 0.0002199000000000 ] - [ -0.0001086600000000, 0.0001560600000000, 0.0002184800000000 ] - [ 0.0003972600000000, 0.0036222000000000, 0.0013944400000000 ] - [ 0.0001644100000000, -0.0006046300000000, 0.0008230500000000 ] - [ 0.0008871500000000, -0.0001893100000000, 0.0004158400000000 ] - [ 0.0007359300000000, -0.0003217700000000, 0.0005397100000000 ] - [ 0.0009294800000000, 0.0013607300000000, -0.0000999100000000 ] - [ 0.0002750400000000, -0.0002778400000000, -0.0001993200000000 ] - [ -0.0001217700000000, 0.0000341800000000, -0.0002385300000000 ] - [ -0.0000679200000000, 0.0000414400000000, -0.0002014900000000 ] - [ 0.0040367400000000, -0.0013287700000000, -0.0028192700000000 ] - [ -0.0005775900000000, 0.0001393300000000, 0.0003278100000000 ] - [ 0.0012426000000000, 0.0006558400000000, -0.0002730500000000 ] - [ -0.0010244000000000, -0.0002631100000000, -0.0003654200000000 ] - [ -0.0002013300000000, 0.0001708100000000, -0.0002320800000000 ] - [ -0.0002094100000000, 0.0001744800000000, -0.0002219000000000 ] - [ 0.0001792500000000, -0.0007335800000000, -0.0003466400000000 ] - [ 0.0001768800000000, -0.0007140000000000, -0.0003373000000000 ] - [ -0.0252899300000000, -0.0035598800000000, -0.0188423900000000 ] - [ 0.0003159100000000, 0.0008778400000000, -0.0003190200000000 ] - [ 0.0030200500000000, 0.0007498900000000, 0.0006158700000000 ] - [ -0.0003320800000000, 0.0001664400000000, 0.0003299300000000 ] - [ -0.0001208300000000, -0.0001263700000000, 0.0002246900000000 ] - [ -0.0001021800000000, -0.0001420200000000, 0.0002116900000000 ] - [ 0.0008514800000000, -0.0002891800000000, -0.0000569000000000 ] - [ 0.0007833200000000, -0.0002783700000000, 0.0004547500000000 ] - [ 0.0007544700000000, 0.0002411100000000, 0.0004739100000000 ] - [ 0.0007232900000000, 0.0001505800000000, 0.0003967400000000 ] - [ 0.0001703000000000, -0.0005164200000000, 0.0005192900000000 ] - [ -0.0004090500000000, 0.0001197800000000, 0.0002601700000000 ] - [ -0.0001023300000000, -0.0000528400000000, -0.0001883000000000 ] - [ -0.0000946800000000, -0.0000536400000000, -0.0001689900000000 ] - [ -0.0002817400000000, 0.0002185700000000, 0.0000769500000000 ] - [ 0.0000554000000000, 0.0004014900000000, -0.0001615100000000 ] - [ -0.0009282300000000, -0.0010106300000000, 0.0013241000000000 ] - [ -0.0000441000000000, 0.0008688600000000, 0.0004957100000000 ] - [ -0.0147055900000000, 0.0024486700000000, -0.0120185000000000 ] - [ -0.0005907800000000, 0.0002397200000000, -0.0012468000000000 ] - [ -0.0002513100000000, -0.0003011400000000, 0.0004350900000000 ] - [ -0.0003356000000000, -0.0003345900000000, 0.0003779500000000 ] - [ 0.2073890900000000, -0.0219666800000000, 0.2048930400000000 ] - [ -0.0001721200000000, -0.0006743100000000, -0.0003419600000000 ] - [ 0.0003974700000000, 0.0005827400000000, 0.0001028000000000 ] - [ 0.0003972800000000, 0.0006815900000000, 0.0000458400000000 ] - [ -0.0004535600000000, 0.0008214800000000, 0.0003349800000000 ] - [ 0.0010119000000000, -0.0005724000000000, -0.0010243600000000 ] - [ -0.0010606100000000, 0.0028620500000000, 0.0008030200000000 ] - [ -0.0000403800000000, -0.0006186900000000, 0.0004392700000000 ] - [ -0.0004997400000000, 0.0003144600000000, -0.0003148600000000 ] - [ -0.0000391600000000, 0.0003266700000000, -0.0006587200000000 ] - [ -0.0004922500000000, 0.0006234300000000, 0.0010411800000000 ] - [ -0.0004157600000000, -0.0017535100000000, 0.0020859500000000 ] - [ -0.0017405500000000, 0.0000782000000000, 0.0008844200000000 ] - [ 0.0001716900000000, -0.0001998800000000, 0.0005274500000000 ] - [ -0.0072994900000000, -0.0005733600000000, 0.0006774900000000 ] - [ 0.0005962100000000, -0.0004299400000000, -0.0005119800000000 ] - [ 0.0003767300000000, -0.0018070100000000, -0.0002425800000000 ] - [ -0.0003346700000000, 0.0010060400000000, -0.0005984800000000 ] - [ -0.0004283100000000, -0.0000296000000000, 0.0010463600000000 ] - [ -0.0003992800000000, 0.0004151500000000, 0.0005058500000000 ] - [ -0.0002930700000000, 0.0003198600000000, 0.0003870500000000 ] - [ -0.0003077400000000, 0.0003330600000000, 0.0003857000000000 ] - [ -0.0035025200000000, 0.0003674600000000, -0.0004442000000000 ] - [ 0.0002439200000000, -0.0003237100000000, 0.0002840000000000 ] - [ 0.0003981100000000, -0.0006266400000000, 0.0000928900000000 ] - [ 0.0004075600000000, -0.0006464900000000, 0.0000631800000000 ] - [ -0.0000388900000000, -0.0004673100000000, 0.0014043000000000 ] - [ -0.0000210400000000, 0.0016466600000000, 0.0022145200000000 ] - [ 0.0006914700000000, 0.0001728900000000, -0.0001158200000000 ] - [ -0.0000693500000000, 0.0004753300000000, 0.0000214800000000 ] - [ 0.0002727300000000, -0.0002794100000000, 0.0000405700000000 ] - [ 0.0001256100000000, -0.0004169600000000, 0.0000304500000000 ] - [ 0.0027223900000000, -0.0018519100000000, 0.0005964200000000 ] - [ -0.0003771500000000, 0.0003573100000000, -0.0004191400000000 ] - [ -0.0001315200000000, -0.0003398100000000, -0.0003100400000000 ] - [ -0.0001945200000000, -0.0003486400000000, -0.0003773800000000 ] - [ -0.0003831900000000, -0.0003108600000000, 0.0007713400000000 ] - [ -0.0005517500000000, -0.0001545900000000, 0.0006317300000000 ] - [ -0.0000938800000000, -0.0004063400000000, -0.0001003100000000 ] - [ -0.0001616400000000, -0.0004205300000000, -0.0001338400000000 ] - [ 0.0012977400000000, -0.0003951200000000, -0.0008882100000000 ] - [ -0.0012019600000000, -0.0010268300000000, 0.0003888700000000 ] - [ 0.0038324900000000, -0.0013980400000000, -0.0018273200000000 ] - [ -0.0016302100000000, 0.0014931700000000, -0.0012758300000000 ] - [ -0.0010204300000000, 0.0007175800000000, -0.0007209300000000 ] - [ 0.0004180100000000, -0.0014452400000000, 0.0001753100000000 ] - [ -0.0002812100000000, 0.0009531000000000, -0.0002173300000000 ] - [ 0.0000081600000000, 0.0009754400000000, -0.0001633900000000 ] - [ -0.0003575400000000, -0.0003297500000000, -0.0001389700000000 ] - [ 0.0003373200000000, 0.0001764500000000, -0.0002854900000000 ] - [ -0.0057921500000000, -0.0062163600000000, -0.0059581900000000 ] - [ 0.0007315800000000, -0.0019583000000000, 0.0017310800000000 ] - [ 0.0009250200000000, -0.0012257800000000, -0.0008679700000000 ] - [ -0.0001960900000000, 0.0003144200000000, -0.0004288500000000 ] - [ 0.0001467200000000, -0.0001545100000000, -0.0004544700000000 ] - [ 0.0000472200000000, -0.0001002400000000, -0.0002958500000000 ]- atom: 49 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0003245400000000, -0.0006163300000000, -0.0003442700000000 ] - [ -0.0002759000000000, -0.0004402300000000, -0.0002178700000000 ] - [ -0.0595655000000000, 0.0638882900000000, -0.0695803300000000 ] - [ -0.0003422400000000, 0.0005770500000000, -0.0004251400000000 ] - [ 0.0006802000000000, 0.0022854500000000, -0.0010455200000000 ] - [ -0.0002806600000000, 0.0021553200000000, 0.0001137500000000 ] - [ 0.0001642600000000, -0.0006970600000000, -0.0003014900000000 ] - [ 0.0001683800000000, -0.0003078000000000, -0.0003028400000000 ] - [ -0.0003356800000000, -0.0015515900000000, 0.0003620600000000 ] - [ -0.0002596000000000, -0.0010959100000000, 0.0002995200000000 ] - [ -0.0017194700000000, 0.0031860100000000, -0.0005444100000000 ] - [ -0.0000764800000000, 0.0015017500000000, 0.0010356800000000 ] - [ 0.0009436800000000, -0.0012523800000000, 0.0009507600000000 ] - [ 0.0007401200000000, -0.0004760100000000, 0.0006761000000000 ] - [ -0.0003720000000000, -0.0002650000000000, 0.0030184600000000 ] - [ 0.0005826500000000, -0.0002559500000000, -0.0003740600000000 ] - [ -0.0002392400000000, -0.0004210900000000, -0.0000294600000000 ] - [ -0.0003272200000000, -0.0002528000000000, 0.0003808900000000 ] - [ 0.0003479100000000, 0.0009755600000000, 0.0003832800000000 ] - [ -0.0003424200000000, 0.0002578400000000, -0.0000288700000000 ] - [ -0.0007455700000000, 0.0000923500000000, 0.0008075200000000 ] - [ -0.0005113800000000, -0.0000103200000000, -0.0007390400000000 ] - [ -0.0001311900000000, -0.0002408500000000, -0.0001933200000000 ] - [ -0.0001340600000000, -0.0001290800000000, -0.0001507100000000 ] - [ 0.0001941700000000, -0.0019608600000000, -0.0003923900000000 ] - [ 0.0002090000000000, -0.0019782500000000, -0.0003594500000000 ] - [ 0.0308121200000000, 0.4051524200000000, -0.0161214600000000 ] - [ 0.0001686100000000, 0.0018203200000000, -0.0004180200000000 ] - [ 0.0009680600000000, 0.0036864300000000, 0.0002697200000000 ] - [ 0.0000308900000000, 0.0019041400000000, 0.0000939500000000 ] - [ 0.0001017500000000, -0.0017291800000000, 0.0000998100000000 ] - [ 0.0000653100000000, -0.0015282700000000, 0.0000969700000000 ] - [ 0.0015304800000000, -0.0023491500000000, 0.0073527500000000 ] - [ 0.0007220500000000, -0.0001910400000000, 0.0001686400000000 ] - [ 0.0007208900000000, -0.0015350900000000, -0.0010989300000000 ] - [ 0.0007848600000000, -0.0000992600000000, 0.0004166200000000 ] - [ 0.0002422300000000, -0.0001670600000000, 0.0008433100000000 ] - [ 0.0002621300000000, 0.0005616000000000, -0.0014462500000000 ] - [ 0.0001400600000000, -0.0005283200000000, -0.0006396000000000 ] - [ 0.0000520400000000, -0.0003231200000000, -0.0004647500000000 ] - [ -0.0003930700000000, 0.0028906400000000, -0.0012438100000000 ] - [ -0.0007029900000000, 0.0021197400000000, -0.0000545300000000 ] - [ 0.0016145800000000, 0.0036172300000000, -0.0018537400000000 ] - [ -0.0006317300000000, 0.0007303300000000, 0.0012412700000000 ] - [ -0.0030198600000000, -0.0051231600000000, -0.0024716200000000 ] - [ 0.0000356800000000, -0.0022799100000000, 0.0005500600000000 ] - [ -0.0000050700000000, 0.0014187300000000, 0.0003809500000000 ] - [ -0.0000486200000000, 0.0008155600000000, 0.0001636800000000 ] - [ 0.0254126300000000, -0.5242461300000000, 0.0749891900000000 ] - [ 0.0004465600000000, -0.0020971500000000, 0.0000647700000000 ] - [ 0.0004578700000000, 0.0020602500000000, 0.0001334000000000 ] - [ 0.0003575200000000, 0.0020615700000000, -0.0001211500000000 ] - [ 0.0005264700000000, 0.0009818800000000, -0.0008634300000000 ] - [ -0.0011642200000000, 0.0028176100000000, 0.0025216100000000 ] - [ -0.0070433600000000, 0.0067896300000000, 0.0025726600000000 ] - [ 0.0000927700000000, -0.0005326200000000, -0.0004493800000000 ] - [ 0.0000492200000000, 0.0022885800000000, -0.0006790300000000 ] - [ -0.0000973500000000, 0.0015403000000000, 0.0003332800000000 ] - [ -0.0007578000000000, -0.0020293900000000, 0.0025046700000000 ] - [ 0.0004203800000000, -0.0011957300000000, -0.0037722700000000 ] - [ -0.0002562600000000, 0.0002433300000000, 0.0017948400000000 ] - [ -0.0004308700000000, -0.0004086700000000, -0.0003283700000000 ] - [ -0.0007046600000000, -0.0044648900000000, -0.0001317600000000 ] - [ -0.0006545000000000, -0.0022652900000000, -0.0008321300000000 ] - [ 0.0018549800000000, -0.0011905200000000, 0.0027873500000000 ] - [ -0.0001353800000000, -0.0003378600000000, -0.0008973200000000 ] - [ 0.0024244600000000, 0.0035870100000000, 0.0022022800000000 ] - [ -0.0004695200000000, 0.0004928900000000, 0.0005274400000000 ] - [ -0.0006215300000000, 0.0018678100000000, 0.0006128600000000 ] - [ -0.0005254200000000, 0.0016657000000000, 0.0003715200000000 ] - [ -0.0017615900000000, -0.0017765400000000, -0.0006885400000000 ] - [ -0.0004492500000000, -0.0017213200000000, 0.0012813600000000 ] - [ 0.0003966000000000, 0.0010009900000000, 0.0001300700000000 ] - [ 0.0004173900000000, 0.0005906600000000, 0.0001583100000000 ] - [ 0.0014129900000000, -0.0005919700000000, -0.0024311900000000 ] - [ -0.0006901400000000, -0.0005964200000000, 0.0025077900000000 ] - [ -0.0003649300000000, 0.0024791000000000, 0.0040047700000000 ] - [ 0.0004354400000000, 0.0005487600000000, -0.0003514200000000 ] - [ -0.0000083500000000, 0.0013369400000000, -0.0006205900000000 ] - [ 0.0003643100000000, 0.0002931400000000, 0.0002006300000000 ] - [ 0.0050404400000000, 0.0277807200000000, 0.0028330700000000 ] - [ -0.0002675400000000, -0.0001352400000000, -0.0004882300000000 ] - [ -0.0007473100000000, 0.0012056900000000, -0.0009447200000000 ] - [ -0.0000683700000000, 0.0013621300000000, 0.0007564500000000 ] - [ -0.0011423000000000, 0.0036768700000000, -0.0016732100000000 ] - [ -0.0007224500000000, 0.0008147100000000, 0.0015316300000000 ] - [ 0.0001935200000000, 0.0019429500000000, 0.0003786700000000 ] - [ 0.0001951200000000, 0.0011292300000000, 0.0003964400000000 ] - [ -0.0015342700000000, -0.0046582900000000, 0.0018905900000000 ] - [ 0.0013677900000000, -0.0030217600000000, -0.0018029200000000 ] - [ 0.0059566600000000, 0.0055478700000000, -0.0047539100000000 ] - [ 0.0011147900000000, 0.0019873500000000, 0.0022176500000000 ] - [ -0.0078709300000000, -0.0057108500000000, -0.0136786600000000 ] - [ -0.0002349400000000, -0.0009633500000000, 0.0004451400000000 ] - [ 0.0008273400000000, -0.0035333100000000, -0.0000793900000000 ] - [ -0.0004482500000000, -0.0010558300000000, -0.0012208500000000 ] - [ 0.0003103900000000, -0.0029615900000000, 0.0013179300000000 ] - [ -0.0000856600000000, -0.0013203900000000, -0.0013118500000000 ] - [ 0.0059008300000000, 0.0210384500000000, 0.0090350300000000 ] - [ 0.0000634900000000, 0.0010166200000000, 0.0005019700000000 ] - [ 0.0017202400000000, -0.0008198800000000, -0.0016966600000000 ] - [ 0.0000975900000000, 0.0001831700000000, 0.0007045300000000 ] - [ -0.0003187500000000, -0.0023987700000000, 0.0004208500000000 ] - [ 0.0002205300000000, -0.0021298700000000, -0.0011756800000000 ]- atom: 49 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0000852000000000, 0.0002748900000000, -0.0001043100000000 ] - [ -0.0001324500000000, 0.0000977800000000, -0.0002288600000000 ] - [ 0.0583189500000000, -0.0611810400000000, 0.0680654400000000 ] - [ -0.0000591600000000, -0.0002342700000000, -0.0000151400000000 ] - [ -0.0003151800000000, -0.0037326800000000, 0.0003672200000000 ] - [ 0.0006349400000000, -0.0036060800000000, -0.0007925800000000 ] - [ 0.0001977600000000, 0.0021604900000000, -0.0003794400000000 ] - [ 0.0001936000000000, 0.0017685000000000, -0.0003778300000000 ] - [ 0.0001208300000000, 0.0018607700000000, 0.0000678600000000 ] - [ 0.0000444200000000, 0.0014057600000000, 0.0001306800000000 ] - [ 0.0014997500000000, -0.0034395000000000, 0.0009764400000000 ] - [ -0.0001306400000000, -0.0018127900000000, -0.0005883000000000 ] - [ 0.0005154500000000, 0.0008680600000000, -0.0000684200000000 ] - [ 0.0007198800000000, 0.0000829100000000, 0.0002129000000000 ] - [ 0.0018368600000000, 0.0006375500000000, -0.0021577700000000 ] - [ 0.0008753700000000, 0.0006444000000000, 0.0012586900000000 ] - [ 0.0000483500000000, 0.0005323100000000, -0.0003351600000000 ] - [ 0.0001356500000000, 0.0003621800000000, -0.0007448000000000 ] - [ -0.0005055800000000, -0.0010968400000000, -0.0007915800000000 ] - [ 0.0001415600000000, -0.0003623900000000, -0.0003202700000000 ] - [ 0.0003409100000000, -0.0004344400000000, -0.0012499400000000 ] - [ 0.0001015100000000, -0.0003326100000000, 0.0002952200000000 ] - [ -0.0002772000000000, 0.0005850800000000, -0.0002539200000000 ] - [ -0.0002750200000000, 0.0004730700000000, -0.0002967100000000 ] - [ 0.0001678500000000, 0.0005022900000000, -0.0002884700000000 ] - [ 0.0001527600000000, 0.0005221800000000, -0.0003211500000000 ] - [ -0.0288542400000000, -0.3727225700000000, 0.0125504300000000 ] - [ 0.0001937600000000, -0.0003590400000000, -0.0002592300000000 ] - [ -0.0011486500000000, -0.0033603300000000, 0.0001564200000000 ] - [ -0.0002476200000000, -0.0015944600000000, 0.0003403100000000 ] - [ -0.0003172800000000, 0.0014257400000000, 0.0003305400000000 ] - [ -0.0002806700000000, 0.0012235500000000, 0.0003333500000000 ] - [ -0.0000717000000000, 0.0019647600000000, -0.0065193700000000 ] - [ 0.0007376300000000, -0.0001994100000000, 0.0007195300000000 ] - [ 0.0007387000000000, 0.0019293800000000, 0.0019869300000000 ] - [ 0.0006742900000000, 0.0004875000000000, 0.0004657800000000 ] - [ -0.0004222900000000, 0.0002611600000000, -0.0011928400000000 ] - [ -0.0004562100000000, -0.0004502900000000, 0.0010873800000000 ] - [ -0.0003313400000000, 0.0004204600000000, 0.0002749200000000 ] - [ -0.0002437700000000, 0.0002147300000000, 0.0001017500000000 ] - [ 0.0001012700000000, -0.0020091800000000, 0.0010043400000000 ] - [ 0.0004163000000000, -0.0012371900000000, -0.0001922700000000 ] - [ -0.0025272300000000, -0.0032374300000000, 0.0031359000000000 ] - [ -0.0002584500000000, -0.0003201800000000, 0.0000119300000000 ] - [ 0.0022419200000000, 0.0058025100000000, 0.0031339500000000 ] - [ -0.0006539200000000, 0.0029465100000000, 0.0001922600000000 ] - [ -0.0006089400000000, -0.0020919500000000, 0.0003929900000000 ] - [ -0.0005641900000000, -0.0014897200000000, 0.0006081400000000 ] - [ -0.0249384900000000, 0.4901657200000000, -0.0700998700000000 ] - [ 0.0003548000000000, 0.0008278300000000, 0.0000782400000000 ] - [ 0.0003507700000000, -0.0007924800000000, 0.0000231900000000 ] - [ 0.0004488400000000, -0.0007899500000000, 0.0002766700000000 ] - [ -0.0002098100000000, -0.0001978800000000, 0.0009819700000000 ] - [ 0.0014948800000000, -0.0020545100000000, -0.0024199300000000 ] - [ 0.0074524600000000, -0.0076881200000000, -0.0024688900000000 ] - [ 0.0002306100000000, -0.0002355500000000, 0.0005485300000000 ] - [ -0.0003783000000000, -0.0015556300000000, 0.0000092000000000 ] - [ -0.0002309700000000, -0.0008031900000000, -0.0010153900000000 ] - [ 0.0004308500000000, 0.0013037300000000, -0.0031716400000000 ] - [ -0.0007571700000000, 0.0004837100000000, 0.0030923700000000 ] - [ -0.0006494100000000, -0.0006505300000000, -0.0005366100000000 ] - [ -0.0004616100000000, 0.0000128700000000, 0.0015843300000000 ] - [ 0.0003927100000000, 0.0035936500000000, -0.0000777300000000 ] - [ 0.0003698400000000, 0.0013793800000000, 0.0005698300000000 ] - [ -0.0021383900000000, 0.0020596000000000, -0.0030300200000000 ] - [ -0.0001596800000000, 0.0012399600000000, 0.0006389400000000 ] - [ -0.0033266500000000, -0.0031884700000000, -0.0009434600000000 ] - [ -0.0004219800000000, -0.0000773900000000, 0.0007274300000000 ] - [ 0.0000086900000000, -0.0011979700000000, 0.0001598400000000 ] - [ -0.0000873200000000, -0.0009937700000000, 0.0004010500000000 ] - [ 0.0011053600000000, 0.0011243800000000, 0.0014597600000000 ] - [ -0.0001619200000000, 0.0010485900000000, -0.0005167000000000 ] - [ 0.0004098200000000, -0.0022742600000000, 0.0000253200000000 ] - [ 0.0003902700000000, -0.0018616100000000, -0.0000021900000000 ] - [ -0.0005937300000000, 0.0018693100000000, 0.0025707000000000 ] - [ 0.0014887900000000, 0.0018639000000000, -0.0023390500000000 ] - [ 0.0006922900000000, -0.0017104800000000, -0.0039040000000000 ] - [ -0.0001162100000000, 0.0002339300000000, 0.0004610400000000 ] - [ 0.0003333000000000, -0.0021111000000000, 0.0007339300000000 ] - [ -0.0000413300000000, -0.0010662800000000, -0.0000937200000000 ] - [ -0.0053702200000000, -0.0269365000000000, -0.0035017900000000 ] - [ -0.0000643500000000, 0.0008737900000000, -0.0001959300000000 ] - [ 0.0004222000000000, -0.0019432900000000, 0.0002733500000000 ] - [ -0.0002609100000000, -0.0020999600000000, -0.0014353500000000 ] - [ 0.0002511100000000, -0.0040917400000000, 0.0029461600000000 ] - [ -0.0001716900000000, -0.0012187600000000, -0.0002747700000000 ] - [ -0.0004823600000000, -0.0028303400000000, -0.0006234100000000 ] - [ -0.0004846300000000, -0.0020141100000000, -0.0006421400000000 ] - [ 0.0013660800000000, 0.0027535800000000, -0.0023468100000000 ] - [ -0.0015576900000000, 0.0011188400000000, 0.0013783100000000 ] - [ -0.0061259900000000, -0.0036880700000000, 0.0042987600000000 ] - [ -0.0012911600000000, -0.0000911000000000, -0.0026299500000000 ] - [ 0.0077162200000000, 0.0038119600000000, 0.0132837200000000 ] - [ 0.0000624700000000, -0.0009589800000000, -0.0008663700000000 ] - [ -0.0010153200000000, 0.0054462800000000, -0.0003584300000000 ] - [ 0.0002683900000000, 0.0029625100000000, 0.0007873800000000 ] - [ -0.0001440200000000, 0.0032144200000000, -0.0020917200000000 ] - [ 0.0002570300000000, 0.0015753400000000, 0.0005547400000000 ] - [ -0.0061128300000000, -0.0218418100000000, -0.0104457400000000 ] - [ 0.0001099500000000, -0.0012959700000000, -0.0012334700000000 ] - [ -0.0015463000000000, 0.0010571800000000, 0.0009146100000000 ] - [ 0.0000705300000000, 0.0000593700000000, -0.0014615300000000 ] - [ 0.0004910000000000, 0.0021483800000000, -0.0011912200000000 ] - [ -0.0000521700000000, 0.0018814400000000, 0.0004155200000000 ]- atom: 49 displacement: [ -0.0049439770564842, 0.0000000000000000, 0.0086923581877968 ] forces: - [ -0.0002112400000000, -0.0002490600000000, -0.0001762700000000 ] - [ -0.0002082800000000, -0.0001304800000000, -0.0002809800000000 ] - [ 0.0727298500000000, -0.0186394300000000, 0.0933951600000000 ] - [ -0.0006198700000000, 0.0002904100000000, -0.0011137800000000 ] - [ 0.0017607300000000, -0.0005514200000000, -0.0034900500000000 ] - [ 0.0014068700000000, -0.0007076700000000, -0.0024830000000000 ] - [ 0.0001815300000000, 0.0006822300000000, -0.0003130600000000 ] - [ 0.0001792000000000, 0.0006795500000000, -0.0003655100000000 ] - [ -0.0001109700000000, 0.0000526000000000, 0.0002416100000000 ] - [ -0.0001164600000000, 0.0001256700000000, 0.0001997000000000 ] - [ -0.0005086400000000, -0.0016661900000000, 0.0003487000000000 ] - [ -0.0005956400000000, 0.0004633600000000, -0.0003059800000000 ] - [ 0.0008626200000000, -0.0009605100000000, 0.0012034600000000 ] - [ 0.0006716600000000, 0.0005130800000000, -0.0002995700000000 ] - [ 0.0013888900000000, 0.0034085200000000, 0.0013313100000000 ] - [ -0.0000040100000000, -0.0011704200000000, -0.0016250100000000 ] - [ -0.0001301500000000, -0.0000948200000000, -0.0001083500000000 ] - [ -0.0000588200000000, 0.0001428600000000, -0.0002837600000000 ] - [ 0.0003389800000000, 0.0004955000000000, 0.0033037700000000 ] - [ 0.0003641500000000, -0.0004530900000000, -0.0017101000000000 ] - [ 0.0014905700000000, 0.0008749100000000, 0.0000442000000000 ] - [ -0.0013192500000000, -0.0005392400000000, -0.0013357000000000 ] - [ -0.0001805800000000, 0.0001498800000000, -0.0001700300000000 ] - [ -0.0002211000000000, 0.0001656500000000, -0.0002755600000000 ] - [ 0.0001788900000000, -0.0007683600000000, -0.0003328200000000 ] - [ 0.0001845900000000, -0.0007946400000000, -0.0003534700000000 ] - [ 0.0010436300000000, -0.0386433300000000, 0.0186858900000000 ] - [ 0.0003418300000000, 0.0006992600000000, -0.0008899600000000 ] - [ 0.0008822900000000, 0.0005671000000000, 0.0012050200000000 ] - [ -0.0002743700000000, 0.0001541400000000, -0.0003202200000000 ] - [ -0.0001183700000000, -0.0000788700000000, 0.0002242900000000 ] - [ -0.0000881100000000, -0.0003229300000000, 0.0002002500000000 ] - [ 0.0008894900000000, 0.0001749500000000, 0.0010983400000000 ] - [ 0.0007982900000000, -0.0002662900000000, -0.0000065600000000 ] - [ 0.0007069200000000, 0.0000710500000000, 0.0003929100000000 ] - [ 0.0007473300000000, 0.0002500800000000, 0.0004453500000000 ] - [ -0.0003160500000000, 0.0003018800000000, -0.0001753400000000 ] - [ -0.0002336700000000, -0.0001489900000000, -0.0005091400000000 ] - [ -0.0001181300000000, -0.0000729500000000, -0.0000825300000000 ] - [ -0.0000611300000000, -0.0000659900000000, -0.0003062500000000 ] - [ -0.0001374700000000, 0.0000949900000000, -0.0001278900000000 ] - [ -0.0002321500000000, 0.0007764900000000, 0.0000120400000000 ] - [ -0.0007436600000000, -0.0013293300000000, -0.0007343800000000 ] - [ -0.0004275000000000, 0.0010747200000000, 0.0020453700000000 ] - [ 0.0062831400000000, -0.0004884800000000, 0.0007929600000000 ] - [ 0.0005203000000000, 0.0004647100000000, 0.0026736700000000 ] - [ -0.0002643100000000, -0.0001725800000000, 0.0002196000000000 ] - [ -0.0003229400000000, -0.0003447500000000, 0.0005629300000000 ] - [ -0.0800432800000000, 0.0520428400000000, -0.1245353800000000 ] - [ 0.0004882500000000, -0.0006628700000000, 0.0015682900000000 ] - [ 0.0004279800000000, 0.0007853900000000, 0.0000889900000000 ] - [ 0.0003785000000000, 0.0006129500000000, 0.0000606400000000 ] - [ 0.0000573200000000, -0.0002865600000000, -0.0004622000000000 ] - [ -0.0000955300000000, 0.0013365100000000, 0.0011002100000000 ] - [ -0.0006677400000000, 0.0027764800000000, -0.0017241400000000 ] - [ -0.0001692300000000, -0.0015022100000000, 0.0022093900000000 ] - [ -0.0006492700000000, 0.0004648500000000, -0.0013259200000000 ] - [ 0.0001117900000000, 0.0003320100000000, 0.0006702300000000 ] - [ -0.0021697800000000, 0.0023573100000000, 0.0022947800000000 ] - [ -0.0004203700000000, -0.0046079600000000, 0.0048577900000000 ] - [ -0.0005437300000000, 0.0009821900000000, 0.0004614800000000 ] - [ 0.0003042200000000, -0.0015261800000000, 0.0012457500000000 ] - [ -0.0030254100000000, -0.0005019600000000, -0.0028427100000000 ] - [ 0.0001817700000000, -0.0003408300000000, 0.0018440300000000 ] - [ -0.0002932800000000, 0.0020471600000000, -0.0007678900000000 ] - [ 0.0001830400000000, -0.0003425700000000, 0.0004078500000000 ] - [ -0.0005468900000000, 0.0006470500000000, 0.0000243900000000 ] - [ -0.0004620700000000, -0.0000673900000000, 0.0010735000000000 ] - [ -0.0003076900000000, 0.0003311700000000, 0.0003155300000000 ] - [ -0.0003226700000000, 0.0004412900000000, 0.0004650600000000 ] - [ -0.0014036300000000, -0.0007953100000000, -0.0010621900000000 ] - [ 0.0004275100000000, -0.0000393100000000, 0.0016026000000000 ] - [ 0.0003877700000000, -0.0005860100000000, -0.0000060300000000 ] - [ 0.0004190500000000, -0.0005715400000000, 0.0001631900000000 ] - [ -0.0016402200000000, -0.0019983600000000, 0.0033542900000000 ] - [ -0.0009662500000000, 0.0033233200000000, 0.0037957500000000 ] - [ 0.0002298300000000, 0.0009532000000000, -0.0005462000000000 ] - [ 0.0000428900000000, -0.0000723600000000, 0.0003203300000000 ] - [ 0.0003163900000000, -0.0002440300000000, -0.0003103100000000 ] - [ 0.0000443000000000, -0.0004245400000000, 0.0003892100000000 ] - [ 0.0001883100000000, -0.0009284700000000, -0.0048620900000000 ] - [ -0.0001003500000000, 0.0004557000000000, 0.0007682000000000 ] - [ -0.0001804400000000, -0.0003414100000000, -0.0004434800000000 ] - [ -0.0001696100000000, -0.0002498500000000, -0.0002328700000000 ] - [ -0.0003647300000000, -0.0002840900000000, 0.0002590900000000 ] - [ -0.0005891500000000, 0.0001304500000000, 0.0010030800000000 ] - [ -0.0001127600000000, -0.0004128600000000, -0.0002698500000000 ] - [ -0.0001422200000000, -0.0002769000000000, 0.0000743000000000 ] - [ 0.0005596800000000, 0.0002206700000000, 0.0005503500000000 ] - [ -0.0000425200000000, -0.0019500300000000, -0.0013058000000000 ] - [ 0.0041924700000000, -0.0024160600000000, 0.0013937000000000 ] - [ -0.0026715500000000, 0.0033288200000000, -0.0052039800000000 ] - [ 0.0006567800000000, -0.0026120100000000, 0.0025396200000000 ] - [ -0.0002482500000000, -0.0003014000000000, -0.0017405900000000 ] - [ -0.0002820900000000, 0.0010549200000000, 0.0001096200000000 ] - [ 0.0001228500000000, 0.0005876000000000, -0.0006250200000000 ] - [ -0.0002333300000000, 0.0001557800000000, 0.0007793500000000 ] - [ 0.0001843500000000, -0.0000349100000000, -0.0013422700000000 ] - [ 0.0015735800000000, 0.0050715300000000, 0.0072743800000000 ] - [ 0.0004546300000000, 0.0011002600000000, -0.0023664100000000 ] - [ 0.0007444300000000, -0.0019727300000000, 0.0010830500000000 ] - [ -0.0003033800000000, 0.0012144000000000, -0.0018404600000000 ] - [ 0.0000947900000000, -0.0000291000000000, -0.0000641900000000 ] - [ 0.0000660200000000, -0.0003878400000000, -0.0007193200000000 ]- atom: 49 displacement: [ 0.0049439770564842, 0.0000000000000000, -0.0086923581877968 ] forces: - [ -0.0001968000000000, -0.0000940000000000, -0.0002719500000000 ] - [ -0.0001994800000000, -0.0002123600000000, -0.0001665500000000 ] - [ -0.0715559400000000, 0.0183369300000000, -0.0957333100000000 ] - [ 0.0002119800000000, 0.0000525300000000, 0.0006649600000000 ] - [ -0.0013697600000000, -0.0008984400000000, 0.0027762000000000 ] - [ -0.0010475600000000, -0.0007452700000000, 0.0018108500000000 ] - [ 0.0001806200000000, 0.0007764200000000, -0.0003688000000000 ] - [ 0.0001829300000000, 0.0007778500000000, -0.0003159700000000 ] - [ -0.0001036300000000, 0.0002563500000000, 0.0001873500000000 ] - [ -0.0000982700000000, 0.0001826800000000, 0.0002293200000000 ] - [ 0.0002834800000000, 0.0013833600000000, 0.0000810100000000 ] - [ 0.0003825900000000, -0.0007704400000000, 0.0007384900000000 ] - [ 0.0005985500000000, 0.0005702400000000, -0.0003198300000000 ] - [ 0.0007883000000000, -0.0008990000000000, 0.0011797900000000 ] - [ 0.0000779900000000, -0.0030077100000000, -0.0004359200000000 ] - [ 0.0014714600000000, 0.0015606200000000, 0.0025106900000000 ] - [ -0.0000605300000000, 0.0002038600000000, -0.0002580200000000 ] - [ -0.0001319800000000, -0.0000333400000000, -0.0000810600000000 ] - [ -0.0005170800000000, -0.0006101900000000, -0.0036883100000000 ] - [ -0.0005536900000000, 0.0003431900000000, 0.0013415800000000 ] - [ -0.0019085100000000, -0.0012260700000000, -0.0004945000000000 ] - [ 0.0009022700000000, 0.0001938000000000, 0.0008811900000000 ] - [ -0.0002275800000000, 0.0001937000000000, -0.0002780300000000 ] - [ -0.0001886300000000, 0.0001781300000000, -0.0001745600000000 ] - [ 0.0001833500000000, -0.0006899900000000, -0.0003488100000000 ] - [ 0.0001776200000000, -0.0006635900000000, -0.0003283300000000 ] - [ -0.0014063400000000, 0.0367375200000000, -0.0189749500000000 ] - [ 0.0000211100000000, 0.0007589500000000, 0.0002076700000000 ] - [ -0.0011075800000000, -0.0002540200000000, -0.0007837100000000 ] - [ 0.0000573700000000, 0.0001564500000000, 0.0007479400000000 ] - [ -0.0000964600000000, -0.0002274800000000, 0.0002049500000000 ] - [ -0.0001268400000000, 0.0000154400000000, 0.0002288300000000 ] - [ 0.0005675300000000, -0.0005630500000000, -0.0002489300000000 ] - [ 0.0006630400000000, -0.0001265900000000, 0.0008904900000000 ] - [ 0.0007527900000000, 0.0003210100000000, 0.0004934200000000 ] - [ 0.0007122900000000, 0.0001368800000000, 0.0004350500000000 ] - [ 0.0001297700000000, -0.0001946600000000, -0.0001941100000000 ] - [ 0.0000372200000000, 0.0002558300000000, 0.0001491000000000 ] - [ -0.0000728000000000, -0.0000357400000000, -0.0002823000000000 ] - [ -0.0001298000000000, -0.0000433200000000, -0.0000590700000000 ] - [ -0.0001527500000000, 0.0007792800000000, -0.0001164500000000 ] - [ -0.0000555100000000, 0.0000967800000000, -0.0002518900000000 ] - [ -0.0001569100000000, 0.0017245500000000, 0.0019881600000000 ] - [ -0.0004685900000000, -0.0006752800000000, -0.0007861400000000 ] - [ -0.0069663200000000, 0.0011752000000000, -0.0000889400000000 ] - [ -0.0011363400000000, 0.0002058600000000, -0.0018959900000000 ] - [ -0.0003489500000000, -0.0005028200000000, 0.0005583300000000 ] - [ -0.0002903500000000, -0.0003300300000000, 0.0002144500000000 ] - [ 0.0801706700000000, -0.0490606300000000, 0.1262986900000000 ] - [ 0.0003144200000000, -0.0006063700000000, -0.0014160000000000 ] - [ 0.0003775100000000, 0.0004839600000000, 0.0000642900000000 ] - [ 0.0004268600000000, 0.0006560400000000, 0.0000916200000000 ] - [ 0.0002620600000000, 0.0010580500000000, 0.0005691100000000 ] - [ 0.0004171300000000, -0.0005641800000000, -0.0009865300000000 ] - [ 0.0009884500000000, -0.0035330500000000, 0.0018255100000000 ] - [ 0.0004869900000000, 0.0007232100000000, -0.0020861300000000 ] - [ 0.0003186500000000, 0.0002651900000000, 0.0006460600000000 ] - [ -0.0004401700000000, 0.0003967600000000, -0.0013435500000000 ] - [ 0.0018618800000000, -0.0031156300000000, -0.0030020700000000 ] - [ 0.0000682300000000, 0.0038241400000000, -0.0054702200000000 ] - [ -0.0003461800000000, -0.0013830200000000, 0.0008047700000000 ] - [ -0.0011913100000000, 0.0011153800000000, 0.0000146900000000 ] - [ 0.0027667800000000, -0.0003717800000000, 0.0026193000000000 ] - [ -0.0004652300000000, -0.0005355200000000, -0.0020826300000000 ] - [ 0.0000069400000000, -0.0011710800000000, 0.0005162400000000 ] - [ -0.0004739400000000, 0.0012220400000000, -0.0006497900000000 ] - [ -0.0003578600000000, -0.0002505500000000, 0.0012272700000000 ] - [ -0.0004323700000000, 0.0004750200000000, 0.0001873800000000 ] - [ -0.0003053600000000, 0.0003413500000000, 0.0004617100000000 ] - [ -0.0002903100000000, 0.0002322500000000, 0.0003133300000000 ] - [ 0.0007978300000000, 0.0001178900000000, 0.0018503400000000 ] - [ -0.0010324000000000, -0.0006345000000000, -0.0008239900000000 ] - [ 0.0004181800000000, -0.0006837300000000, 0.0001585900000000 ] - [ 0.0003883100000000, -0.0006964900000000, -0.0000077600000000 ] - [ 0.0024636200000000, 0.0032918600000000, -0.0032345500000000 ] - [ 0.0017363400000000, -0.0020167800000000, -0.0035911600000000 ] - [ 0.0000956000000000, -0.0001830300000000, 0.0006412600000000 ] - [ 0.0002773600000000, 0.0008478800000000, -0.0002065300000000 ] - [ 0.0000077600000000, -0.0005285600000000, 0.0004192000000000 ] - [ 0.0002770900000000, -0.0003456100000000, -0.0002798800000000 ] - [ -0.0005406900000000, 0.0015584200000000, 0.0041770100000000 ] - [ -0.0002267800000000, 0.0002805500000000, -0.0014431700000000 ] - [ -0.0001451900000000, -0.0003906400000000, -0.0002299400000000 ] - [ -0.0001598400000000, -0.0004812000000000, -0.0004481600000000 ] - [ -0.0005291100000000, -0.0001279600000000, 0.0010110000000000 ] - [ -0.0003081200000000, -0.0005305100000000, 0.0002556100000000 ] - [ -0.0001764700000000, -0.0004654000000000, 0.0000252800000000 ] - [ -0.0001473000000000, -0.0005977500000000, -0.0003167500000000 ] - [ -0.0007368500000000, -0.0021185300000000, -0.0009871600000000 ] - [ -0.0001390900000000, 0.0000498800000000, 0.0008618900000000 ] - [ -0.0043644900000000, 0.0043194000000000, -0.0018660000000000 ] - [ 0.0024708200000000, -0.0014123000000000, 0.0047434400000000 ] - [ -0.0008140800000000, 0.0007080700000000, -0.0029163200000000 ] - [ 0.0000642300000000, -0.0016095700000000, 0.0012997200000000 ] - [ 0.0000953300000000, 0.0008552000000000, -0.0005486200000000 ] - [ -0.0003027300000000, 0.0013118600000000, 0.0001896100000000 ] - [ 0.0003997600000000, 0.0000974100000000, -0.0015385700000000 ] - [ -0.0000142300000000, 0.0002876000000000, 0.0005724400000000 ] - [ -0.0015282400000000, -0.0054710400000000, -0.0080459100000000 ] - [ -0.0002798900000000, -0.0013622000000000, 0.0016152400000000 ] - [ -0.0005727700000000, 0.0022136300000000, -0.0018360700000000 ] - [ 0.0004749400000000, -0.0009709600000000, 0.0010729600000000 ] - [ 0.0000766900000000, -0.0002205300000000, -0.0007051500000000 ] - [ 0.0001032800000000, 0.0001360500000000, -0.0000444000000000 ]- atom: 53 displacement: [ 0.0099998839938813, 0.0000000000000000, -0.0000481675089282 ] forces: - [ -0.0004400300000000, -0.0000736800000000, 0.0000185400000000 ] - [ 0.0013755000000000, -0.0021881400000000, 0.0015408800000000 ] - [ -0.0011247500000000, 0.0003368100000000, -0.0007085400000000 ] - [ 0.0001138100000000, -0.0000729800000000, 0.0000582700000000 ] - [ 0.0004518000000000, -0.0012800300000000, -0.0003614500000000 ] - [ 0.0001199100000000, -0.0005879700000000, -0.0002300800000000 ] - [ 0.0005797500000000, 0.0014951000000000, -0.0003114100000000 ] - [ -0.0000790000000000, 0.0003239400000000, -0.0003736100000000 ] - [ -0.0002544200000000, -0.0000461100000000, 0.0006246500000000 ] - [ -0.0000529800000000, 0.0004740200000000, 0.0002280500000000 ] - [ -0.0003712800000000, 0.0008496900000000, 0.0004669000000000 ] - [ -0.0000707300000000, -0.0000234700000000, 0.0002270200000000 ] - [ 0.0010347300000000, -0.0017569000000000, 0.0020062500000000 ] - [ -0.0002955600000000, -0.0017840000000000, 0.0020493900000000 ] - [ -0.0004417000000000, -0.0067765100000000, -0.0053487300000000 ] - [ 0.0007497300000000, 0.0004974100000000, 0.0010153100000000 ] - [ -0.0000471000000000, -0.0000231600000000, 0.0001041200000000 ] - [ 0.0026610200000000, 0.0014358800000000, -0.0054882100000000 ] - [ 0.0006474900000000, 0.0005418400000000, -0.0013231800000000 ] - [ -0.0002867400000000, 0.0000372100000000, 0.0002882700000000 ] - [ -0.0001650700000000, -0.0001263400000000, -0.0001759200000000 ] - [ -0.0002863100000000, -0.0001286000000000, -0.0003110700000000 ] - [ 0.0003869400000000, 0.0004105300000000, 0.0001271300000000 ] - [ -0.0001764700000000, 0.0001582900000000, -0.0001532700000000 ] - [ 0.0007044400000000, -0.0017279900000000, -0.0011561200000000 ] - [ 0.0001497400000000, -0.0006984900000000, -0.0003068800000000 ] - [ 0.0002859600000000, 0.0007273400000000, -0.0003365100000000 ] - [ 0.0000432500000000, 0.0012443800000000, -0.0005278000000000 ] - [ -0.0000486600000000, 0.0001843100000000, 0.0001650800000000 ] - [ -0.0001400300000000, 0.0005863000000000, 0.0001937300000000 ] - [ -0.0006203100000000, 0.0063952600000000, -0.0000965400000000 ] - [ -0.0000133600000000, -0.0003902000000000, 0.0002446900000000 ] - [ 0.0007203200000000, -0.0000268300000000, 0.0003323400000000 ] - [ 0.0007206300000000, 0.0000083200000000, 0.0002463200000000 ] - [ 0.0006990200000000, 0.0003260700000000, 0.0003127900000000 ] - [ 0.0007284400000000, 0.0003645900000000, 0.0006131000000000 ] - [ -0.0000627900000000, 0.0000950700000000, -0.0001909000000000 ] - [ -0.0001013600000000, 0.0001756000000000, -0.0002695900000000 ] - [ -0.0006917200000000, 0.0001796500000000, 0.0007690700000000 ] - [ -0.0000499900000000, -0.0000295700000000, -0.0002318300000000 ] - [ 0.0192020900000000, -0.0225108800000000, -0.0075477000000000 ] - [ -0.0003454700000000, 0.0011815200000000, -0.0008119200000000 ] - [ 0.0256854800000000, 0.0031216000000000, -0.0225628600000000 ] - [ 0.0000783300000000, 0.0010093500000000, -0.0013473400000000 ] - [ 0.0001201200000000, -0.0022568200000000, 0.0011454300000000 ] - [ -0.0005248100000000, 0.0005425600000000, -0.0003893800000000 ] - [ 0.0005476500000000, 0.0006759000000000, 0.0008617700000000 ] - [ -0.0026721100000000, -0.0004981200000000, 0.0024170400000000 ] - [ 0.0009963700000000, -0.0002832900000000, 0.0002981500000000 ] - [ -0.0004798100000000, -0.0019987700000000, -0.0007294300000000 ] - [ 0.0005748700000000, 0.0007273100000000, -0.0002136200000000 ] - [ 0.0016276100000000, 0.0079035100000000, -0.0001767900000000 ] - [ -0.2677105300000000, 0.1136662400000000, 0.1627931900000000 ] - [ 0.0009394300000000, 0.0002305500000000, -0.0009551500000000 ] - [ 0.0022754300000000, -0.0018955700000000, 0.0047283700000000 ] - [ 0.0022202400000000, 0.0002527300000000, 0.0009562400000000 ] - [ -0.0079044200000000, 0.0014957200000000, -0.0008364800000000 ] - [ 0.0002823500000000, 0.0012812700000000, -0.0018005900000000 ] - [ -0.0005214000000000, -0.0008414600000000, -0.0002556300000000 ] - [ 0.0031288700000000, 0.0025278900000000, 0.0050709500000000 ] - [ -0.0019338600000000, 0.0010098400000000, -0.0002088100000000 ] - [ 0.0111263000000000, -0.0037991600000000, -0.0041578000000000 ] - [ -0.0015453500000000, -0.0001153500000000, 0.0003509900000000 ] - [ 0.0015178400000000, -0.0015583800000000, -0.0004216900000000 ] - [ 0.0001494600000000, -0.0005454100000000, 0.0000627100000000 ] - [ -0.0001367900000000, 0.0002177800000000, -0.0001657000000000 ] - [ -0.0004794700000000, -0.0001471500000000, 0.0008601000000000 ] - [ -0.0005451600000000, -0.0001507300000000, 0.0006475100000000 ] - [ 0.0003080900000000, -0.0040144800000000, 0.0001989700000000 ] - [ -0.0003818100000000, 0.0004453400000000, 0.0003453100000000 ] - [ -0.0003875700000000, -0.0004304900000000, 0.0004111100000000 ] - [ -0.0002613100000000, -0.0007289100000000, 0.0004441700000000 ] - [ -0.0001511500000000, -0.0011970900000000, -0.0001630700000000 ] - [ 0.0006077700000000, -0.0003817700000000, 0.0000551900000000 ] - [ 0.0004134700000000, 0.0004585900000000, -0.0000559700000000 ] - [ 0.0002688900000000, 0.0008270400000000, 0.0001774800000000 ] - [ 0.0003928400000000, -0.0000269000000000, 0.0000478000000000 ] - [ 0.0001715900000000, 0.0001575200000000, -0.0000918600000000 ] - [ 0.0000936800000000, -0.0007364500000000, -0.0000425800000000 ] - [ 0.0000955600000000, -0.0005621300000000, 0.0000836900000000 ] - [ -0.0000550000000000, 0.0002401100000000, -0.0002143100000000 ] - [ -0.0002249200000000, -0.0000996200000000, -0.0003800500000000 ] - [ -0.0001886100000000, -0.0005526700000000, -0.0005994300000000 ] - [ -0.0002729100000000, 0.0002800700000000, -0.0003282800000000 ] - [ -0.0003483200000000, -0.0005922600000000, 0.0004758300000000 ] - [ -0.0005963500000000, -0.0004982700000000, 0.0006926400000000 ] - [ -0.0000066600000000, -0.0007980100000000, -0.0008556500000000 ] - [ -0.0004312100000000, -0.0007260800000000, -0.0001046000000000 ] - [ 0.2138008900000000, -0.0942952200000000, -0.1284961200000000 ] - [ -0.0010456700000000, -0.0021031500000000, 0.0020254200000000 ] - [ 0.0041123600000000, 0.0011173000000000, -0.0024612500000000 ] - [ -0.0073120000000000, 0.0053420300000000, -0.0022945900000000 ] - [ -0.0005674700000000, -0.0001979300000000, -0.0005540500000000 ] - [ 0.0000262700000000, -0.0004207700000000, 0.0000056600000000 ] - [ 0.0000331200000000, 0.0016799100000000, 0.0003372100000000 ] - [ 0.0003986100000000, 0.0012531600000000, 0.0000220400000000 ] - [ -0.0047256500000000, -0.0001121300000000, -0.0017773900000000 ] - [ 0.0003990000000000, -0.0005259200000000, 0.0000976100000000 ] - [ -0.0010576500000000, -0.0028926900000000, 0.0037949300000000 ] - [ 0.0046880500000000, -0.0002429800000000, -0.0001904400000000 ] - [ 0.0002335800000000, 0.0006041000000000, -0.0004784200000000 ] - [ 0.0000479400000000, 0.0005114700000000, -0.0002317500000000 ] - [ 0.0001428200000000, 0.0003243300000000, -0.0001197600000000 ] - [ -0.0002456300000000, 0.0005456100000000, -0.0011173100000000 ]- atom: 53 displacement: [ -0.0099998839938813, 0.0000000000000000, 0.0000481675089282 ] forces: - [ 0.0000636100000000, -0.0002702600000000, -0.0004417500000000 ] - [ -0.0017819200000000, 0.0018306800000000, -0.0019586100000000 ] - [ 0.0007314600000000, 0.0000047900000000, 0.0002784600000000 ] - [ -0.0005034900000000, 0.0004183200000000, -0.0004828100000000 ] - [ -0.0000924700000000, -0.0001889800000000, -0.0003235800000000 ] - [ 0.0002385900000000, -0.0008841200000000, -0.0004543400000000 ] - [ -0.0002283500000000, -0.0000578200000000, -0.0003699400000000 ] - [ 0.0004383100000000, 0.0011483000000000, -0.0003125400000000 ] - [ 0.0000467500000000, 0.0003322000000000, -0.0001941300000000 ] - [ -0.0001605900000000, -0.0002045800000000, 0.0002011700000000 ] - [ 0.0001640500000000, -0.0011227300000000, -0.0000341600000000 ] - [ -0.0001390100000000, -0.0002558500000000, 0.0002051900000000 ] - [ 0.0004134800000000, 0.0014182900000000, -0.0011581800000000 ] - [ 0.0017591800000000, 0.0013852600000000, -0.0011671400000000 ] - [ 0.0019382400000000, 0.0071461600000000, 0.0061933500000000 ] - [ 0.0007109100000000, -0.0000918100000000, -0.0001189300000000 ] - [ -0.0001370000000000, 0.0001214600000000, -0.0004817600000000 ] - [ -0.0028059300000000, -0.0013473600000000, 0.0050832600000000 ] - [ -0.0008290500000000, -0.0006396100000000, 0.0009323300000000 ] - [ 0.0001097700000000, -0.0001387000000000, -0.0006684900000000 ] - [ -0.0002253200000000, -0.0002180900000000, -0.0002510000000000 ] - [ -0.0001039300000000, -0.0002155900000000, -0.0001155800000000 ] - [ -0.0007694400000000, -0.0000661400000000, -0.0005472100000000 ] - [ -0.0002136600000000, 0.0001861700000000, -0.0002731400000000 ] - [ -0.0003424400000000, 0.0002516100000000, 0.0004715200000000 ] - [ 0.0002089400000000, -0.0007743200000000, -0.0003776600000000 ] - [ 0.0000729800000000, 0.0007405800000000, -0.0003482700000000 ] - [ 0.0003160200000000, 0.0002269700000000, -0.0001561500000000 ] - [ -0.0001606100000000, 0.0000937200000000, 0.0002670900000000 ] - [ -0.0000698900000000, -0.0003083900000000, 0.0002394700000000 ] - [ 0.0004116800000000, -0.0066196400000000, 0.0005262000000000 ] - [ -0.0001974500000000, 0.0001156400000000, 0.0001884400000000 ] - [ 0.0007409500000000, -0.0003767300000000, 0.0005618300000000 ] - [ 0.0007404700000000, -0.0004105600000000, 0.0006468100000000 ] - [ 0.0007619100000000, 0.0000786300000000, 0.0005829500000000 ] - [ 0.0007326600000000, 0.0000390200000000, 0.0002806100000000 ] - [ -0.0001138000000000, 0.0000077600000000, -0.0001923700000000 ] - [ -0.0000750500000000, -0.0000722500000000, -0.0001141000000000 ] - [ 0.0005147100000000, -0.0002804100000000, -0.0011491700000000 ] - [ -0.0001257400000000, -0.0000737900000000, -0.0001531800000000 ] - [ -0.0193172600000000, 0.0229692800000000, 0.0071685300000000 ] - [ 0.0000503700000000, -0.0002646200000000, 0.0005209100000000 ] - [ -0.0262223100000000, -0.0026188800000000, 0.0233016200000000 ] - [ -0.0009597700000000, -0.0006182800000000, 0.0025948200000000 ] - [ -0.0007334700000000, 0.0029043300000000, -0.0003403900000000 ] - [ -0.0000960300000000, 0.0001077100000000, 0.0011831400000000 ] - [ -0.0011665100000000, -0.0013453100000000, -0.0000910700000000 ] - [ 0.0020446300000000, -0.0001313800000000, -0.0016148100000000 ] - [ -0.0002305800000000, -0.0010226600000000, -0.0001769400000000 ] - [ 0.0012451500000000, 0.0006902900000000, 0.0008454800000000 ] - [ 0.0001795700000000, 0.0005876000000000, 0.0003340800000000 ] - [ -0.0008386000000000, -0.0066211900000000, 0.0002986800000000 ] - [ 0.2611107600000000, -0.1067400500000000, -0.1540532800000000 ] - [ -0.0006806500000000, 0.0005733700000000, 0.0010992400000000 ] - [ -0.0019825000000000, 0.0011132600000000, -0.0046183800000000 ] - [ -0.0020005400000000, -0.0010655400000000, -0.0008066900000000 ] - [ 0.0075181700000000, -0.0005860800000000, 0.0003850200000000 ] - [ -0.0005595800000000, -0.0004814500000000, 0.0011213200000000 ] - [ 0.0002512400000000, 0.0000407700000000, -0.0004366000000000 ] - [ -0.0034314300000000, -0.0033074000000000, -0.0057398900000000 ] - [ 0.0010522600000000, -0.0014277100000000, 0.0014708500000000 ] - [ -0.0121460100000000, 0.0034603200000000, 0.0055000100000000 ] - [ 0.0012478600000000, -0.0007990600000000, -0.0006308800000000 ] - [ -0.0018193600000000, 0.0006449200000000, 0.0001385500000000 ] - [ -0.0004493300000000, 0.0014593900000000, -0.0003479100000000 ] - [ -0.0001655600000000, 0.0006994300000000, -0.0001205500000000 ] - [ -0.0004096000000000, 0.0005320400000000, 0.0003934700000000 ] - [ -0.0003446600000000, 0.0005372300000000, 0.0006060600000000 ] - [ -0.0009274900000000, 0.0046236300000000, 0.0005977600000000 ] - [ -0.0002357800000000, 0.0002028200000000, 0.0004534400000000 ] - [ -0.0002312500000000, -0.0002170800000000, 0.0003883900000000 ] - [ -0.0003578200000000, 0.0000809700000000, 0.0003539700000000 ] - [ 0.0009148200000000, -0.0000953300000000, 0.0002754000000000 ] - [ 0.0001559500000000, -0.0009310300000000, 0.0000636400000000 ] - [ 0.0003504400000000, 0.0008555200000000, 0.0001730600000000 ] - [ 0.0004945200000000, 0.0004847200000000, -0.0000597400000000 ] - [ -0.0001340900000000, 0.0008311000000000, 0.0001039300000000 ] - [ 0.0000911600000000, 0.0006466500000000, 0.0002405500000000 ] - [ 0.0001648700000000, -0.0000698700000000, 0.0001926800000000 ] - [ 0.0001654500000000, -0.0002434200000000, 0.0000667800000000 ] - [ -0.0002212100000000, 0.0005645900000000, -0.0004699200000000 ] - [ -0.0000526600000000, 0.0009014700000000, -0.0003041300000000 ] - [ -0.0000896400000000, -0.0002501000000000, -0.0000859900000000 ] - [ -0.0000021800000000, -0.0010887400000000, -0.0003553200000000 ] - [ -0.0005408500000000, 0.0002027900000000, 0.0007767300000000 ] - [ -0.0002905500000000, 0.0001070200000000, 0.0005595000000000 ] - [ -0.0002972500000000, -0.0001276600000000, 0.0005649100000000 ] - [ 0.0001317000000000, -0.0001862700000000, -0.0001803300000000 ] - [ -0.2066906000000000, 0.0866708600000000, 0.1202449300000000 ] - [ 0.0008910500000000, 0.0001332100000000, -0.0024529300000000 ] - [ -0.0043014600000000, 0.0008494900000000, 0.0020379100000000 ] - [ 0.0072128000000000, -0.0033924300000000, 0.0018432500000000 ] - [ 0.0004195400000000, -0.0017649900000000, 0.0001218800000000 ] - [ -0.0001736400000000, -0.0015440600000000, -0.0004333400000000 ] - [ -0.0001750000000000, 0.0002904000000000, -0.0007623300000000 ] - [ -0.0005480900000000, 0.0007147700000000, -0.0004543900000000 ] - [ 0.0041573600000000, 0.0000851100000000, 0.0006994000000000 ] - [ -0.0002314800000000, 0.0007528700000000, -0.0008460800000000 ] - [ 0.0012311000000000, 0.0026467600000000, -0.0045272300000000 ] - [ -0.0045416600000000, 0.0000281300000000, -0.0005413000000000 ] - [ -0.0000691500000000, -0.0003730800000000, -0.0002790200000000 ] - [ 0.0001162800000000, -0.0002819800000000, -0.0005240400000000 ] - [ 0.0000190500000000, -0.0005550900000000, -0.0006380300000000 ] - [ 0.0004098900000000, -0.0007698700000000, 0.0003571000000000 ]- atom: 53 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0001037100000000, -0.0001497200000000, -0.0010401400000000 ] - [ -0.0005721600000000, -0.0009315600000000, 0.0031468400000000 ] - [ 0.0007104000000000, -0.0001560600000000, 0.0009128400000000 ] - [ -0.0005091800000000, 0.0004511900000000, -0.0008176100000000 ] - [ 0.0000748900000000, -0.0023561500000000, -0.0003026900000000 ] - [ 0.0001998700000000, -0.0009382300000000, -0.0005020500000000 ] - [ -0.0001228200000000, -0.0016048600000000, -0.0007329200000000 ] - [ 0.0002918400000000, 0.0014322500000000, 0.0002692400000000 ] - [ -0.0001014700000000, -0.0004878000000000, -0.0002329500000000 ] - [ -0.0003161200000000, -0.0011994900000000, 0.0002880100000000 ] - [ 0.0000319300000000, -0.0027522400000000, -0.0002482500000000 ] - [ -0.0000868000000000, -0.0010318000000000, 0.0001407400000000 ] - [ -0.0007130100000000, 0.0091060100000000, -0.0042115200000000 ] - [ 0.0007341300000000, 0.0027949300000000, -0.0008918900000000 ] - [ -0.0019106200000000, 0.0016448500000000, 0.0034584000000000 ] - [ 0.0006397100000000, 0.0006332200000000, 0.0001806100000000 ] - [ 0.0000475800000000, 0.0006816500000000, -0.0014470700000000 ] - [ -0.0006353000000000, -0.0009604800000000, 0.0046636100000000 ] - [ -0.0002567500000000, -0.0014402100000000, 0.0023525400000000 ] - [ 0.0001381900000000, -0.0002858800000000, -0.0012022900000000 ] - [ -0.0002132600000000, -0.0004126600000000, -0.0001727500000000 ] - [ -0.0003251200000000, -0.0005685200000000, -0.0003721900000000 ] - [ -0.0002789700000000, -0.0003921300000000, -0.0004833100000000 ] - [ -0.0000816500000000, 0.0000401300000000, -0.0000664000000000 ] - [ 0.0015718000000000, -0.0030151100000000, -0.0010534600000000 ] - [ 0.0002345400000000, -0.0011513700000000, -0.0002983300000000 ] - [ 0.0001429000000000, -0.0002224100000000, -0.0002862600000000 ] - [ 0.0003790700000000, -0.0007293400000000, -0.0001916900000000 ] - [ -0.0002125700000000, -0.0005936100000000, 0.0004533900000000 ] - [ -0.0001500400000000, -0.0010830700000000, 0.0001420000000000 ] - [ -0.0001328800000000, -0.0049712500000000, 0.0002217700000000 ] - [ -0.0002505300000000, 0.0003600200000000, 0.0001585000000000 ] - [ 0.0007699400000000, -0.0010351300000000, 0.0011031700000000 ] - [ 0.0007938300000000, -0.0012282600000000, 0.0012219200000000 ] - [ 0.0006261000000000, -0.0009528300000000, -0.0005032700000000 ] - [ 0.0007036600000000, -0.0005307700000000, -0.0000966300000000 ] - [ -0.0002292200000000, -0.0002357100000000, 0.0000793600000000 ] - [ -0.0001925000000000, -0.0004025000000000, 0.0000494000000000 ] - [ 0.0004128800000000, -0.0006709800000000, -0.0013825100000000 ] - [ -0.0001362900000000, -0.0002262400000000, 0.0000073400000000 ] - [ -0.0269566900000000, 0.0088702300000000, 0.0064319900000000 ] - [ 0.0003291800000000, -0.0018324100000000, 0.0011636700000000 ] - [ 0.0121600700000000, -0.0113410700000000, -0.0081408000000000 ] - [ -0.0016006800000000, -0.0032379800000000, 0.0030047900000000 ] - [ -0.0016898100000000, 0.0052083300000000, -0.0010110700000000 ] - [ -0.0001739600000000, 0.0007586700000000, 0.0013280800000000 ] - [ -0.0004116600000000, -0.0008505200000000, 0.0021334600000000 ] - [ -0.0003930300000000, 0.0007409900000000, -0.0036194300000000 ] - [ -0.0000631600000000, -0.0000680700000000, -0.0009703000000000 ] - [ 0.0013488700000000, 0.0017903500000000, 0.0017049400000000 ] - [ 0.0001483000000000, 0.0005076900000000, 0.0012090100000000 ] - [ 0.0036172800000000, 0.0078422100000000, -0.0016976000000000 ] - [ 0.1086031200000000, -0.1461969900000000, -0.1109953400000000 ] - [ -0.0000461500000000, -0.0012992300000000, 0.0001386200000000 ] - [ -0.0005510900000000, -0.0025464700000000, -0.0022134300000000 ] - [ 0.0016473500000000, -0.0025443900000000, 0.0033135900000000 ] - [ -0.0058117100000000, -0.0016961400000000, 0.0263294400000000 ] - [ -0.0003351800000000, -0.0022959600000000, 0.0000853900000000 ] - [ 0.0003150100000000, -0.0011525900000000, -0.0005434700000000 ] - [ 0.0056153400000000, 0.0010550400000000, 0.0000623400000000 ] - [ 0.0008172800000000, -0.0059446100000000, 0.0020640300000000 ] - [ -0.0031245100000000, -0.0048334300000000, 0.0013934600000000 ] - [ -0.0001875500000000, -0.0012922300000000, -0.0028221800000000 ] - [ -0.0011027700000000, -0.0000569600000000, 0.0011889400000000 ] - [ -0.0008215400000000, 0.0033720300000000, -0.0007490700000000 ] - [ -0.0003678800000000, 0.0018625900000000, -0.0003953100000000 ] - [ -0.0000498900000000, 0.0022698900000000, 0.0003957600000000 ] - [ -0.0000885900000000, 0.0017233500000000, 0.0004358500000000 ] - [ -0.0006162700000000, 0.0038976700000000, 0.0007669000000000 ] - [ -0.0002935700000000, 0.0003121700000000, 0.0003059800000000 ] - [ -0.0001364500000000, 0.0005673400000000, 0.0001657500000000 ] - [ -0.0001104300000000, 0.0009600900000000, 0.0005164500000000 ] - [ 0.0005908600000000, 0.0014497200000000, 0.0008293500000000 ] - [ 0.0002866800000000, -0.0004948400000000, -0.0005247600000000 ] - [ 0.0003483100000000, 0.0013338000000000, 0.0000858100000000 ] - [ 0.0004862100000000, 0.0023801600000000, -0.0000472700000000 ] - [ -0.0003005200000000, 0.0019927400000000, 0.0003900700000000 ] - [ -0.0001147500000000, 0.0015046600000000, 0.0005146800000000 ] - [ 0.0002871500000000, 0.0008847500000000, -0.0000178600000000 ] - [ 0.0004582000000000, 0.0008845500000000, -0.0005776600000000 ] - [ -0.0000927700000000, 0.0017726000000000, -0.0006644500000000 ] - [ 0.0000356100000000, 0.0021128700000000, -0.0003773300000000 ] - [ -0.0001287400000000, 0.0005066600000000, 0.0001103800000000 ] - [ -0.0005191200000000, 0.0019701300000000, -0.0005637700000000 ] - [ -0.0007482000000000, 0.0013619800000000, 0.0009022000000000 ] - [ -0.0008812400000000, 0.0017507100000000, 0.0006189500000000 ] - [ 0.0000130600000000, 0.0010567500000000, 0.0009526300000000 ] - [ 0.0001949800000000, 0.0011946400000000, -0.0003072000000000 ] - [ -0.0882767900000000, 0.1132577400000000, 0.0709730400000000 ] - [ 0.0006200100000000, 0.0040638400000000, -0.0011962700000000 ] - [ -0.0017613500000000, 0.0054226100000000, 0.0037897900000000 ] - [ -0.0031906600000000, 0.0041768900000000, -0.0034455700000000 ] - [ 0.0004569700000000, -0.0044150300000000, 0.0005666300000000 ] - [ -0.0001251600000000, -0.0035081900000000, -0.0004357200000000 ] - [ -0.0002646000000000, -0.0015872800000000, -0.0011466100000000 ] - [ 0.0000918700000000, -0.0021228400000000, 0.0006484000000000 ] - [ 0.0031345900000000, 0.0135092000000000, 0.0006036600000000 ] - [ 0.0001957000000000, 0.0039768300000000, -0.0012290400000000 ] - [ 0.0004023000000000, 0.0012301000000000, 0.0007377300000000 ] - [ -0.0022698900000000, 0.0138508200000000, 0.0067934100000000 ] - [ 0.0000493500000000, -0.0022513600000000, -0.0000892100000000 ] - [ 0.0000949000000000, -0.0017307100000000, -0.0005579300000000 ] - [ -0.0000815300000000, -0.0020658500000000, -0.0010290800000000 ] - [ 0.0001596800000000, -0.0024461100000000, 0.0003990100000000 ]- atom: 53 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0004925700000000, -0.0001947400000000, 0.0006087200000000 ] - [ 0.0001771800000000, 0.0005728300000000, -0.0035818600000000 ] - [ -0.0010900000000000, 0.0005024000000000, -0.0013283900000000 ] - [ 0.0001150600000000, -0.0001029200000000, 0.0003854400000000 ] - [ 0.0002822500000000, 0.0008816500000000, -0.0003805300000000 ] - [ 0.0001594500000000, -0.0005284200000000, -0.0001846000000000 ] - [ 0.0004767700000000, 0.0030515600000000, 0.0000519700000000 ] - [ 0.0000678900000000, 0.0000420300000000, -0.0009544000000000 ] - [ -0.0001093300000000, 0.0007623400000000, 0.0006673800000000 ] - [ 0.0001073000000000, 0.0014756500000000, 0.0001466000000000 ] - [ -0.0002437700000000, 0.0024629900000000, 0.0006784900000000 ] - [ -0.0001233900000000, 0.0007523800000000, 0.0002918800000000 ] - [ 0.0021830800000000, -0.0095121700000000, 0.0050547500000000 ] - [ 0.0007274200000000, -0.0031889700000000, 0.0017804100000000 ] - [ 0.0033618700000000, -0.0011603900000000, -0.0024827800000000 ] - [ 0.0008215200000000, -0.0002320300000000, 0.0007037200000000 ] - [ -0.0002234000000000, -0.0005758300000000, 0.0010569500000000 ] - [ 0.0004591500000000, 0.0010546100000000, -0.0050377400000000 ] - [ 0.0000778100000000, 0.0013301300000000, -0.0027071300000000 ] - [ -0.0003127000000000, 0.0001817400000000, 0.0008119500000000 ] - [ -0.0001766400000000, 0.0000694300000000, -0.0002540800000000 ] - [ -0.0000639000000000, 0.0002241700000000, -0.0000536000000000 ] - [ -0.0001098900000000, 0.0007358800000000, 0.0000588300000000 ] - [ -0.0003070600000000, 0.0003041400000000, -0.0003594600000000 ] - [ -0.0012259400000000, 0.0015392000000000, 0.0003744400000000 ] - [ 0.0001248500000000, -0.0003218500000000, -0.0003867000000000 ] - [ 0.0002155500000000, 0.0016934600000000, -0.0003980500000000 ] - [ -0.0000184600000000, 0.0021933100000000, -0.0004915300000000 ] - [ 0.0000029100000000, 0.0008776400000000, -0.0000190900000000 ] - [ -0.0000585700000000, 0.0013564200000000, 0.0002903400000000 ] - [ -0.0000710500000000, 0.0046887700000000, 0.0002136800000000 ] - [ 0.0000407700000000, -0.0006371300000000, 0.0002735400000000 ] - [ 0.0006918900000000, 0.0006293900000000, -0.0002059100000000 ] - [ 0.0006680300000000, 0.0008224200000000, -0.0003246200000000 ] - [ 0.0008353300000000, 0.0013543200000000, 0.0013972800000000 ] - [ 0.0007579700000000, 0.0009313000000000, 0.0009872400000000 ] - [ 0.0000517200000000, 0.0003394700000000, -0.0004611400000000 ] - [ 0.0000157700000000, 0.0005044900000000, -0.0004305200000000 ] - [ -0.0005876200000000, 0.0005677200000000, 0.0009987000000000 ] - [ -0.0000399200000000, 0.0001230400000000, -0.0003910100000000 ] - [ 0.0270951400000000, -0.0080528800000000, -0.0067561400000000 ] - [ -0.0006325600000000, 0.0027418100000000, -0.0014397500000000 ] - [ -0.0131956300000000, 0.0116974200000000, 0.0094699300000000 ] - [ 0.0007061200000000, 0.0036109300000000, -0.0017316200000000 ] - [ 0.0010509200000000, -0.0045081900000000, 0.0017923500000000 ] - [ -0.0004423100000000, -0.0001164100000000, -0.0005168200000000 ] - [ -0.0002080600000000, 0.0002127900000000, -0.0013274600000000 ] - [ -0.0002185300000000, -0.0013933500000000, 0.0044197400000000 ] - [ 0.0008212600000000, -0.0012518900000000, 0.0010797100000000 ] - [ -0.0005745600000000, -0.0030864400000000, -0.0015735000000000 ] - [ 0.0006152700000000, 0.0008066900000000, -0.0010837200000000 ] - [ -0.0029237700000000, -0.0066322300000000, 0.0018400900000000 ] - [ -0.1106535300000000, 0.1463263800000000, 0.1125047800000000 ] - [ 0.0002987900000000, 0.0021059400000000, 0.0000266500000000 ] - [ 0.0007928200000000, 0.0017146600000000, 0.0023820900000000 ] - [ -0.0013894100000000, 0.0017171200000000, -0.0031553500000000 ] - [ 0.0055549100000000, 0.0026022600000000, -0.0272709800000000 ] - [ 0.0000591900000000, 0.0030940100000000, -0.0007620800000000 ] - [ -0.0005912900000000, 0.0003421000000000, -0.0001261500000000 ] - [ -0.0058120900000000, -0.0018446100000000, -0.0007752800000000 ] - [ -0.0017010300000000, 0.0055458000000000, -0.0007971100000000 ] - [ 0.0022131400000000, 0.0044157100000000, -0.0001489800000000 ] - [ -0.0001154000000000, 0.0003611200000000, 0.0025217500000000 ] - [ 0.0007789500000000, -0.0008596900000000, -0.0014658000000000 ] - [ 0.0005155900000000, -0.0024393600000000, 0.0004600000000000 ] - [ 0.0000646500000000, -0.0009413000000000, 0.0001109300000000 ] - [ -0.0008360900000000, -0.0018707700000000, 0.0008543800000000 ] - [ -0.0007983500000000, -0.0013273500000000, 0.0008190800000000 ] - [ -0.0000075900000000, -0.0032465100000000, 0.0000295800000000 ] - [ -0.0003249500000000, 0.0003357900000000, 0.0004931000000000 ] - [ -0.0004819000000000, -0.0012126400000000, 0.0006317700000000 ] - [ -0.0005088000000000, -0.0015980100000000, 0.0002818500000000 ] - [ 0.0001752900000000, -0.0027452800000000, -0.0007127200000000 ] - [ 0.0004765900000000, -0.0008165300000000, 0.0006430100000000 ] - [ 0.0004155600000000, -0.0000193400000000, 0.0000340900000000 ] - [ 0.0002785200000000, -0.0010602300000000, 0.0001623700000000 ] - [ 0.0005576300000000, -0.0011799200000000, -0.0002383600000000 ] - [ 0.0003718300000000, -0.0006928600000000, -0.0003589100000000 ] - [ -0.0000257700000000, -0.0016839600000000, 0.0001690300000000 ] - [ -0.0002003700000000, -0.0016865000000000, 0.0007298500000000 ] - [ -0.0001835800000000, -0.0009641800000000, -0.0000233700000000 ] - [ -0.0003097500000000, -0.0012990400000000, -0.0003052700000000 ] - [ -0.0001461900000000, -0.0013053900000000, -0.0007906100000000 ] - [ 0.0002440900000000, -0.0027719900000000, -0.0001219500000000 ] - [ -0.0001417200000000, -0.0017437400000000, 0.0003542900000000 ] - [ -0.0000056500000000, -0.0021354900000000, 0.0006332100000000 ] - [ -0.0003166700000000, -0.0019664900000000, -0.0012365100000000 ] - [ -0.0004956100000000, -0.0021051300000000, 0.0000227300000000 ] - [ 0.0904124900000000, -0.1150594300000000, -0.0731799600000000 ] - [ -0.0007537800000000, -0.0060131000000000, 0.0007482100000000 ] - [ 0.0016263500000000, -0.0034135000000000, -0.0042355900000000 ] - [ 0.0030534700000000, -0.0021771600000000, 0.0030119600000000 ] - [ -0.0005988200000000, 0.0024367000000000, -0.0009884800000000 ] - [ -0.0000221700000000, 0.0015332800000000, 0.0000005500000000 ] - [ 0.0001175800000000, 0.0035444300000000, 0.0007122600000000 ] - [ -0.0002389500000000, 0.0040829100000000, -0.0010781500000000 ] - [ -0.0030326400000000, -0.0132679300000000, -0.0013507200000000 ] - [ -0.0000335300000000, -0.0037379000000000, 0.0004616800000000 ] - [ -0.0002382600000000, -0.0014241300000000, -0.0015344500000000 ] - [ 0.0022621400000000, -0.0136155600000000, -0.0069639800000000 ] - [ 0.0001137600000000, 0.0024738400000000, -0.0006641500000000 ] - [ 0.0000696000000000, 0.0019542900000000, -0.0002018700000000 ] - [ 0.0002452200000000, 0.0018283600000000, 0.0002692900000000 ] - [ 0.0000051000000000, 0.0022116700000000, -0.0011537000000000 ]- atom: 53 displacement: [ -0.0049439770564842, 0.0000000000000000, 0.0086923581877968 ] forces: - [ 0.0004704300000000, -0.0006220300000000, -0.0013424000000000 ] - [ -0.0002468300000000, 0.0036046600000000, -0.0009680300000000 ] - [ 0.0007333500000000, 0.0002906300000000, 0.0008997400000000 ] - [ -0.0006667300000000, 0.0004594400000000, -0.0012113900000000 ] - [ 0.0000017100000000, -0.0010690000000000, -0.0000863000000000 ] - [ 0.0002029900000000, -0.0004258100000000, -0.0006885100000000 ] - [ -0.0008191200000000, -0.0048581200000000, 0.0001230200000000 ] - [ 0.0003218900000000, 0.0015012700000000, -0.0004198400000000 ] - [ -0.0001951600000000, -0.0006236200000000, 0.0001331300000000 ] - [ 0.0005315300000000, 0.0011322200000000, 0.0003627800000000 ] - [ 0.0001636100000000, -0.0011417200000000, 0.0000251300000000 ] - [ -0.0001610300000000, -0.0004500000000000, 0.0001146000000000 ] - [ -0.0003271000000000, 0.0075642600000000, -0.0068165900000000 ] - [ 0.0017559000000000, 0.0019531500000000, -0.0015923600000000 ] - [ 0.0009999900000000, 0.0087867400000000, 0.0101651400000000 ] - [ 0.0005626400000000, -0.0013517200000000, -0.0019610300000000 ] - [ -0.0001273300000000, 0.0002455000000000, -0.0018837000000000 ] - [ -0.0036019500000000, 0.0009036300000000, 0.0041567600000000 ] - [ -0.0010386900000000, 0.0004809700000000, 0.0020861700000000 ] - [ 0.0002175000000000, -0.0005701700000000, -0.0017145200000000 ] - [ -0.0002783100000000, -0.0001791200000000, -0.0003424400000000 ] - [ -0.0001279900000000, -0.0003422900000000, -0.0000758600000000 ] - [ 0.0000608900000000, -0.0002015000000000, 0.0003535100000000 ] - [ -0.0002727700000000, 0.0001995200000000, -0.0005267200000000 ] - [ -0.0005454900000000, -0.0000457700000000, 0.0001503500000000 ] - [ 0.0002243400000000, -0.0012855400000000, -0.0005059400000000 ] - [ 0.0000948400000000, 0.0009206800000000, -0.0003681100000000 ] - [ 0.0004159900000000, -0.0004236400000000, 0.0000010000000000 ] - [ -0.0000325500000000, 0.0009613000000000, 0.0002914800000000 ] - [ -0.0001157200000000, -0.0011679300000000, 0.0002202700000000 ] - [ 0.0003916700000000, -0.0035126600000000, 0.0005208600000000 ] - [ -0.0002418500000000, 0.0001116000000000, -0.0001173800000000 ] - [ 0.0007464900000000, -0.0005145200000000, 0.0006546500000000 ] - [ 0.0007536800000000, -0.0005142800000000, 0.0007430400000000 ] - [ 0.0006957200000000, 0.0000191900000000, 0.0007450200000000 ] - [ 0.0007035200000000, -0.0002259200000000, -0.0001035900000000 ] - [ -0.0000274500000000, 0.0000322700000000, -0.0004359600000000 ] - [ -0.0001818700000000, -0.0001986200000000, 0.0001949200000000 ] - [ 0.0002958600000000, -0.0002525300000000, -0.0004860800000000 ] - [ 0.0000043300000000, -0.0000974100000000, -0.0005342300000000 ] - [ -0.0074640100000000, 0.0085199500000000, -0.0060823800000000 ] - [ 0.0002066200000000, -0.0011928300000000, 0.0024683600000000 ] - [ -0.0327582900000000, -0.0030560800000000, 0.0133452000000000 ] - [ -0.0020458000000000, -0.0011870700000000, 0.0058670800000000 ] - [ -0.0008669700000000, 0.0024918400000000, -0.0023481000000000 ] - [ 0.0000380300000000, 0.0002191800000000, 0.0024810100000000 ] - [ -0.0004751900000000, -0.0000531100000000, 0.0011271000000000 ] - [ 0.0018416000000000, -0.0035016200000000, -0.0001703900000000 ] - [ -0.0001600200000000, -0.0016355400000000, -0.0007100200000000 ] - [ 0.0017577000000000, 0.0021625200000000, 0.0020275400000000 ] - [ -0.0000387100000000, 0.0010504900000000, 0.0021455700000000 ] - [ -0.0008832600000000, -0.0051122600000000, -0.0019841400000000 ] - [ 0.2606880100000000, -0.1470038300000000, -0.2552628900000000 ] - [ -0.0011513400000000, 0.0005356500000000, 0.0030628600000000 ] - [ -0.0001322100000000, -0.0024723000000000, 0.0010900100000000 ] - [ 0.0031540900000000, 0.0012585000000000, 0.0029369000000000 ] - [ -0.0061600600000000, 0.0181565600000000, 0.0269084700000000 ] - [ -0.0002753700000000, -0.0009246600000000, 0.0024898300000000 ] - [ 0.0008342900000000, -0.0009471500000000, 0.0027037400000000 ] - [ -0.0005374000000000, -0.0017929000000000, -0.0083162200000000 ] - [ 0.0007800200000000, -0.0046229400000000, 0.0048354700000000 ] - [ -0.0107830900000000, 0.0017407800000000, 0.0023640900000000 ] - [ 0.0005369100000000, -0.0029526000000000, -0.0007060800000000 ] - [ -0.0015978200000000, 0.0018549700000000, 0.0004348800000000 ] - [ -0.0004483400000000, 0.0016659800000000, -0.0007154400000000 ] - [ -0.0002048500000000, 0.0008719700000000, 0.0001574900000000 ] - [ -0.0003082600000000, 0.0008086500000000, 0.0001009300000000 ] - [ -0.0002812800000000, 0.0007993500000000, 0.0008857400000000 ] - [ -0.0010684700000000, 0.0025973900000000, -0.0000860200000000 ] - [ -0.0001826200000000, 0.0002773700000000, 0.0009850900000000 ] - [ -0.0003146600000000, -0.0007651900000000, 0.0004620800000000 ] - [ -0.0002663200000000, 0.0007504400000000, 0.0002786400000000 ] - [ 0.0007841300000000, 0.0030329600000000, -0.0003435000000000 ] - [ 0.0003020900000000, -0.0011421600000000, 0.0003359000000000 ] - [ 0.0003899100000000, 0.0006262300000000, 0.0004598800000000 ] - [ 0.0004505800000000, 0.0011561900000000, -0.0003601800000000 ] - [ -0.0000279800000000, 0.0008896500000000, -0.0001360600000000 ] - [ -0.0000325500000000, 0.0009037100000000, 0.0006118900000000 ] - [ 0.0001534700000000, 0.0003277100000000, 0.0000780300000000 ] - [ 0.0000444100000000, -0.0002404700000000, 0.0000119400000000 ] - [ -0.0002752300000000, 0.0005386800000000, -0.0007463100000000 ] - [ 0.0000757900000000, 0.0014439600000000, -0.0000288000000000 ] - [ -0.0001272200000000, 0.0002109000000000, 0.0002395600000000 ] - [ -0.0001060300000000, -0.0008211900000000, -0.0007469200000000 ] - [ -0.0006228600000000, 0.0005709800000000, 0.0009822200000000 ] - [ -0.0003779000000000, 0.0001155700000000, 0.0003384800000000 ] - [ -0.0000233400000000, 0.0006233600000000, 0.0003632800000000 ] - [ -0.0002493800000000, -0.0010483900000000, -0.0001437400000000 ] - [ -0.2058369800000000, 0.1051294000000000, 0.1974967100000000 ] - [ 0.0017439700000000, 0.0019066700000000, -0.0063139200000000 ] - [ -0.0025539500000000, 0.0063494600000000, -0.0029909500000000 ] - [ 0.0008592600000000, -0.0049651500000000, 0.0040877300000000 ] - [ 0.0003387000000000, -0.0021036900000000, 0.0007666600000000 ] - [ -0.0002405100000000, -0.0019894900000000, -0.0010851300000000 ] - [ -0.0001169200000000, -0.0004225400000000, -0.0010719200000000 ] - [ 0.0000081200000000, 0.0007741700000000, 0.0001833100000000 ] - [ 0.0061199200000000, 0.0015062300000000, 0.0105183000000000 ] - [ -0.0005759700000000, 0.0019091000000000, -0.0058519700000000 ] - [ 0.0009778800000000, 0.0039616400000000, -0.0060332500000000 ] - [ -0.0040121600000000, 0.0063844900000000, 0.0084225900000000 ] - [ 0.0000117100000000, -0.0006478600000000, 0.0002567300000000 ] - [ 0.0001059800000000, -0.0005534300000000, -0.0009858400000000 ] - [ -0.0001852500000000, -0.0014648300000000, -0.0011584800000000 ] - [ 0.0002244500000000, -0.0005964600000000, 0.0003067700000000 ]- atom: 53 displacement: [ 0.0049439770564842, 0.0000000000000000, -0.0086923581877968 ] forces: - [ -0.0008743300000000, 0.0002804700000000, 0.0009065700000000 ] - [ -0.0001599400000000, -0.0039403300000000, 0.0005602400000000 ] - [ -0.0011342700000000, 0.0000533500000000, -0.0013372800000000 ] - [ 0.0002665800000000, -0.0001127900000000, 0.0007735200000000 ] - [ 0.0003574200000000, -0.0003936100000000, -0.0005953800000000 ] - [ 0.0001572600000000, -0.0010395000000000, 0.0000043900000000 ] - [ 0.0011858000000000, 0.0063677900000000, -0.0008197900000000 ] - [ 0.0000386200000000, -0.0000312300000000, -0.0002590000000000 ] - [ -0.0000161500000000, 0.0009132200000000, 0.0002950900000000 ] - [ -0.0007412700000000, -0.0008482700000000, 0.0000704800000000 ] - [ -0.0003726400000000, 0.0008528000000000, 0.0004067600000000 ] - [ -0.0000515800000000, 0.0001527900000000, 0.0003153100000000 ] - [ 0.0017832100000000, -0.0079710500000000, 0.0077175700000000 ] - [ -0.0002879500000000, -0.0023415100000000, 0.0024792100000000 ] - [ 0.0004994600000000, -0.0084199400000000, -0.0093329600000000 ] - [ 0.0008976800000000, 0.0017403100000000, 0.0028398200000000 ] - [ -0.0000504100000000, -0.0001358100000000, 0.0015032000000000 ] - [ 0.0034183000000000, -0.0008110500000000, -0.0044992100000000 ] - [ 0.0008508800000000, -0.0005687100000000, -0.0024691700000000 ] - [ -0.0004010500000000, 0.0004632600000000, 0.0013384300000000 ] - [ -0.0001211300000000, -0.0001647000000000, -0.0000949800000000 ] - [ -0.0002697500000000, -0.0000018400000000, -0.0003586300000000 ] - [ -0.0004631200000000, 0.0005429400000000, -0.0007955500000000 ] - [ -0.0001245400000000, 0.0001439900000000, 0.0000927700000000 ] - [ 0.0009125700000000, -0.0014368300000000, -0.0008464000000000 ] - [ 0.0001353100000000, -0.0001769700000000, -0.0001754200000000 ] - [ 0.0002661700000000, 0.0005421200000000, -0.0003152700000000 ] - [ -0.0000530900000000, 0.0018831600000000, -0.0006808300000000 ] - [ -0.0001794800000000, -0.0006662200000000, 0.0001391500000000 ] - [ -0.0000957200000000, 0.0014557300000000, 0.0002114100000000 ] - [ -0.0006041900000000, 0.0031918800000000, -0.0000875000000000 ] - [ 0.0000295000000000, -0.0004000600000000, 0.0005500200000000 ] - [ 0.0007140300000000, 0.0001176500000000, 0.0002345300000000 ] - [ 0.0007070500000000, 0.0001141200000000, 0.0001506300000000 ] - [ 0.0007648600000000, 0.0003750200000000, 0.0001399600000000 ] - [ 0.0007571000000000, 0.0006223500000000, 0.0009942300000000 ] - [ -0.0001558400000000, 0.0000740600000000, 0.0000610500000000 ] - [ -0.0000027300000000, 0.0003035700000000, -0.0005660200000000 ] - [ -0.0004769100000000, 0.0001434400000000, 0.0001028700000000 ] - [ -0.0001889700000000, -0.0000085100000000, 0.0001636600000000 ] - [ 0.0070539500000000, -0.0075928800000000, 0.0059301000000000 ] - [ -0.0005015800000000, 0.0020797500000000, -0.0027293400000000 ] - [ 0.0325604400000000, 0.0035117400000000, -0.0123852400000000 ] - [ 0.0011435100000000, 0.0015746200000000, -0.0045866900000000 ] - [ 0.0002574700000000, -0.0018393400000000, 0.0031215200000000 ] - [ -0.0006496900000000, 0.0004515000000000, -0.0016918300000000 ] - [ -0.0001431300000000, -0.0006150500000000, -0.0003257100000000 ] - [ -0.0024489400000000, 0.0028203900000000, 0.0009479500000000 ] - [ 0.0009472800000000, 0.0003520100000000, 0.0008478100000000 ] - [ -0.0009594500000000, -0.0034282900000000, -0.0018796500000000 ] - [ 0.0008279700000000, 0.0002303900000000, -0.0020141700000000 ] - [ 0.0016855400000000, 0.0064153300000000, 0.0020979900000000 ] - [ -0.2737155600000000, 0.1558038100000000, 0.2643163100000000 ] - [ 0.0014405500000000, 0.0002499400000000, -0.0029304300000000 ] - [ 0.0004477900000000, 0.0016665900000000, -0.0009131800000000 ] - [ -0.0028588900000000, -0.0020544900000000, -0.0028137300000000 ] - [ 0.0059005300000000, -0.0178871000000000, -0.0280396600000000 ] - [ -0.0000336900000000, 0.0016811200000000, -0.0031725800000000 ] - [ -0.0011374700000000, 0.0001804200000000, -0.0033639200000000 ] - [ 0.0001865100000000, 0.0010221800000000, 0.0076401800000000 ] - [ -0.0016836400000000, 0.0042411900000000, -0.0035769000000000 ] - [ 0.0097590600000000, -0.0021195200000000, -0.0010768100000000 ] - [ -0.0008354500000000, 0.0020529100000000, 0.0004536800000000 ] - [ 0.0012868200000000, -0.0027488100000000, -0.0007034500000000 ] - [ 0.0001539100000000, -0.0007660000000000, 0.0004481800000000 ] - [ -0.0000908100000000, 0.0000311100000000, -0.0004220400000000 ] - [ -0.0005869600000000, -0.0004121000000000, 0.0011594600000000 ] - [ -0.0006125100000000, -0.0004017500000000, 0.0003702100000000 ] - [ 0.0004574600000000, -0.0019106000000000, 0.0008751200000000 ] - [ -0.0004304000000000, 0.0003872800000000, -0.0002037500000000 ] - [ -0.0002992600000000, 0.0001000800000000, 0.0003256400000000 ] - [ -0.0003464100000000, -0.0014119100000000, 0.0005031600000000 ] - [ 0.0000004100000000, -0.0043465400000000, 0.0004892600000000 ] - [ 0.0004835600000000, -0.0001465600000000, -0.0002048300000000 ] - [ 0.0003962700000000, 0.0006638100000000, -0.0003214900000000 ] - [ 0.0003356800000000, 0.0001318600000000, 0.0004931600000000 ] - [ 0.0003208100000000, -0.0000975100000000, 0.0002658800000000 ] - [ 0.0003261300000000, -0.0001132100000000, -0.0004833000000000 ] - [ 0.0001415200000000, -0.0011149800000000, 0.0000520300000000 ] - [ 0.0002505600000000, -0.0005431800000000, 0.0001132100000000 ] - [ -0.0000268500000000, 0.0002325000000000, 0.0000679700000000 ] - [ -0.0003781000000000, -0.0006669000000000, -0.0006516600000000 ] - [ -0.0001733200000000, -0.0009814600000000, -0.0009168000000000 ] - [ -0.0001984600000000, 0.0000605900000000, 0.0000671800000000 ] - [ -0.0002734800000000, -0.0009607500000000, 0.0002770800000000 ] - [ -0.0005172900000000, -0.0005031200000000, 0.0009171800000000 ] - [ -0.0002726700000000, -0.0015201800000000, -0.0006240400000000 ] - [ -0.0000438500000000, 0.0001542600000000, -0.0001247600000000 ] - [ 0.2185768900000000, -0.1153085000000000, -0.2067128200000000 ] - [ -0.0018931300000000, -0.0038206800000000, 0.0058730100000000 ] - [ 0.0024157600000000, -0.0044077700000000, 0.0025037600000000 ] - [ -0.0009921500000000, 0.0069042400000000, -0.0044872100000000 ] - [ -0.0005022600000000, 0.0001645700000000, -0.0012047900000000 ] - [ 0.0000750400000000, 0.0000486200000000, 0.0006525700000000 ] - [ -0.0000491800000000, 0.0023538700000000, 0.0006340100000000 ] - [ -0.0001716500000000, 0.0011508400000000, -0.0006129500000000 ] - [ -0.0060243500000000, -0.0012206500000000, -0.0112784000000000 ] - [ 0.0007382100000000, -0.0016580800000000, 0.0050961500000000 ] - [ -0.0008151000000000, -0.0042171300000000, 0.0052889800000000 ] - [ 0.0040661000000000, -0.0060150600000000, -0.0087334800000000 ] - [ 0.0001551300000000, 0.0008866900000000, -0.0010206300000000 ] - [ 0.0000618700000000, 0.0007903100000000, 0.0002259200000000 ] - [ 0.0003534900000000, 0.0012235000000000, 0.0003964500000000 ] - [ -0.0000572500000000, 0.0003469600000000, -0.0010623500000000 ]- atom: 57 displacement: [ 0.0099998839938813, 0.0000000000000000, -0.0000481675089282 ] forces: - [ -0.0016254500000000, 0.0004156900000000, 0.0001677800000000 ] - [ 0.0007356000000000, 0.0000498600000000, 0.0001527700000000 ] - [ -0.0005367500000000, 0.0001342700000000, 0.0000529400000000 ] - [ -0.0001632900000000, 0.0001978500000000, -0.0003799700000000 ] - [ 0.0002654900000000, -0.0015321900000000, -0.0002566000000000 ] - [ 0.0001338900000000, -0.0005103200000000, -0.0003670000000000 ] - [ 0.0041217700000000, -0.0054760300000000, 0.0011381000000000 ] - [ 0.0000004900000000, 0.0008376500000000, -0.0004729700000000 ] - [ -0.0003727600000000, -0.0006346500000000, 0.0003665700000000 ] - [ -0.0000190800000000, 0.0008450700000000, 0.0002112900000000 ] - [ -0.0001021400000000, -0.0002417900000000, 0.0002210300000000 ] - [ -0.0001232900000000, -0.0002042000000000, 0.0001990600000000 ] - [ 0.0204135000000000, 0.0089741700000000, 0.0037976700000000 ] - [ 0.0004430700000000, 0.0001089500000000, -0.0001780600000000 ] - [ 0.0020157400000000, -0.0060720200000000, -0.0062798500000000 ] - [ 0.0006064500000000, -0.0000035900000000, 0.0000875600000000 ] - [ -0.0010966700000000, -0.0004737400000000, -0.0018046000000000 ] - [ 0.0025416500000000, 0.0011163300000000, -0.0040218200000000 ] - [ -0.0000007300000000, 0.0000855200000000, 0.0002661300000000 ] - [ -0.0000046000000000, -0.0001269100000000, -0.0005262200000000 ] - [ -0.0001973700000000, -0.0001772100000000, -0.0001945500000000 ] - [ -0.0002686600000000, -0.0002472300000000, -0.0002903100000000 ] - [ 0.0008680500000000, 0.0009303400000000, 0.0007593400000000 ] - [ -0.0003232300000000, 0.0001856200000000, -0.0003929000000000 ] - [ 0.0000396400000000, -0.0010448700000000, -0.0001698500000000 ] - [ 0.0002657600000000, -0.0006120300000000, -0.0007024300000000 ] - [ 0.0003008800000000, 0.0005462000000000, -0.0003700500000000 ] - [ 0.0001806000000000, 0.0006372600000000, -0.0003779300000000 ] - [ -0.0000464500000000, 0.0003424100000000, 0.0002557300000000 ] - [ -0.0001723300000000, -0.0001020300000000, 0.0001860500000000 ] - [ -0.0006652400000000, 0.0033608300000000, 0.0004870500000000 ] - [ -0.0001181400000000, -0.0003813900000000, -0.0000680000000000 ] - [ 0.0007448300000000, -0.0003456500000000, 0.0005791400000000 ] - [ 0.0007346300000000, -0.0002204900000000, 0.0004238500000000 ] - [ 0.0006583000000000, 0.0001128300000000, 0.0005592700000000 ] - [ 0.0007144900000000, 0.0000747100000000, 0.0002638900000000 ] - [ -0.0000742100000000, 0.0000239900000000, -0.0002068100000000 ] - [ -0.0001346800000000, 0.0000131600000000, -0.0001285900000000 ] - [ -0.0003551900000000, 0.0000439300000000, 0.0004054000000000 ] - [ 0.0000450300000000, -0.0000717900000000, -0.0004709200000000 ] - [ 0.0051451200000000, -0.0009123400000000, 0.0199414900000000 ] - [ 0.0004952700000000, 0.0000829000000000, 0.0012301400000000 ] - [ 0.0130705300000000, 0.0246455700000000, 0.0152805700000000 ] - [ -0.0002672400000000, 0.0000645500000000, 0.0012359800000000 ] - [ -0.0002628000000000, 0.0002998200000000, 0.0000762800000000 ] - [ -0.0004500400000000, 0.0003830700000000, 0.0005770900000000 ] - [ 0.0058366200000000, 0.0009570300000000, 0.0014185400000000 ] - [ -0.0021578400000000, -0.0011784200000000, 0.0027903800000000 ] - [ 0.0007186200000000, -0.0004357700000000, -0.0003028400000000 ] - [ 0.0002564100000000, -0.0005905500000000, 0.0003005900000000 ] - [ 0.0006387100000000, 0.0000500000000000, -0.0001040600000000 ] - [ 0.0007023900000000, 0.0012589300000000, -0.0020896900000000 ] - [ -0.0076508500000000, -0.0054207700000000, -0.0115136700000000 ] - [ 0.0005503100000000, 0.0002086500000000, 0.0001517600000000 ] - [ 0.0033874900000000, -0.0060757500000000, 0.0015212200000000 ] - [ -0.0002625800000000, -0.0008595900000000, 0.0009670900000000 ] - [ -0.1063027100000000, -0.0551685000000000, -0.0883437700000000 ] - [ 0.0004269800000000, 0.0002062000000000, 0.0006711100000000 ] - [ -0.0000015000000000, -0.0008123700000000, 0.0005558100000000 ] - [ 0.0000027700000000, 0.0026097400000000, 0.0055708300000000 ] - [ -0.0061400400000000, -0.0054688100000000, 0.0039340600000000 ] - [ 0.0007941300000000, -0.0006060800000000, 0.0011112700000000 ] - [ -0.0013015400000000, -0.0014678000000000, -0.0011180200000000 ] - [ 0.0004700700000000, -0.0002195400000000, 0.0006935200000000 ] - [ -0.0001527200000000, 0.0006546100000000, -0.0002787400000000 ] - [ -0.0001802800000000, 0.0005393500000000, -0.0000827800000000 ] - [ -0.0003134400000000, 0.0004727900000000, 0.0004211900000000 ] - [ -0.0004468900000000, 0.0002840600000000, 0.0007822900000000 ] - [ -0.0003544400000000, -0.0015702000000000, -0.0003906800000000 ] - [ -0.0002898900000000, 0.0005256400000000, 0.0008266000000000 ] - [ -0.0003493300000000, -0.0004174700000000, 0.0003524500000000 ] - [ -0.0002114500000000, -0.0001330400000000, 0.0004461700000000 ] - [ -0.0025152300000000, 0.0045289200000000, -0.0011511200000000 ] - [ 0.0005959700000000, -0.0007539600000000, 0.0002467800000000 ] - [ 0.0004130400000000, 0.0005601300000000, 0.0000694000000000 ] - [ 0.0003518700000000, 0.0012363300000000, 0.0000224900000000 ] - [ 0.0002074900000000, 0.0004504100000000, -0.0000315300000000 ] - [ 0.0000404500000000, 0.0005760800000000, 0.0002743000000000 ] - [ -0.0000106300000000, -0.0000248000000000, 0.0000413200000000 ] - [ 0.0000758300000000, -0.0004120900000000, 0.0000604100000000 ] - [ -0.0001235000000000, 0.0006011800000000, -0.0004807500000000 ] - [ -0.0001103800000000, 0.0005154400000000, -0.0002003900000000 ] - [ -0.0001720400000000, -0.0003056300000000, -0.0000822300000000 ] - [ -0.0001742300000000, -0.0002048100000000, -0.0006084400000000 ] - [ -0.0004734700000000, 0.0000399100000000, 0.0007241000000000 ] - [ -0.0005251800000000, -0.0002054200000000, 0.0005568600000000 ] - [ 0.0001228400000000, -0.0000442800000000, -0.0003873200000000 ] - [ -0.0003948500000000, -0.0008585700000000, -0.0000470000000000 ] - [ 0.0818440800000000, 0.0345630700000000, 0.0548495300000000 ] - [ -0.0014084500000000, -0.0001328500000000, -0.0018260500000000 ] - [ 0.0015055100000000, 0.0059700900000000, -0.0017365500000000 ] - [ -0.0015868200000000, 0.0020387600000000, -0.0035262600000000 ] - [ -0.0002419600000000, -0.0013252300000000, 0.0000825900000000 ] - [ -0.0000092700000000, -0.0011703900000000, -0.0004690400000000 ] - [ 0.0000867900000000, 0.0006719100000000, -0.0005218400000000 ] - [ 0.0002854600000000, 0.0010217300000000, 0.0001305900000000 ] - [ -0.0127966300000000, 0.0025532100000000, 0.0062555300000000 ] - [ 0.0006362300000000, -0.0002213400000000, -0.0021456300000000 ] - [ -0.0006822000000000, -0.0014507900000000, 0.0028569500000000 ] - [ 0.0002390300000000, 0.0003522200000000, -0.0004369400000000 ] - [ 0.0001596900000000, -0.0001817500000000, -0.0000946100000000 ] - [ 0.0000603500000000, -0.0000101600000000, -0.0005748200000000 ] - [ -0.0001694600000000, -0.0009913800000000, -0.0008462300000000 ] - [ -0.0000597900000000, 0.0001496500000000, -0.0005574400000000 ]- atom: 57 displacement: [ -0.0099998839938813, 0.0000000000000000, 0.0000481675089282 ] forces: - [ 0.0012537600000000, -0.0007586400000000, -0.0005826200000000 ] - [ -0.0011213800000000, -0.0003987100000000, -0.0005790200000000 ] - [ 0.0001441700000000, 0.0002088200000000, -0.0004794300000000 ] - [ -0.0002262700000000, 0.0001487200000000, -0.0000485700000000 ] - [ 0.0000943800000000, 0.0000563700000000, -0.0004267700000000 ] - [ 0.0002252100000000, -0.0009541900000000, -0.0003170800000000 ] - [ -0.0037842700000000, 0.0070287900000000, -0.0018137600000000 ] - [ 0.0003584700000000, 0.0006330600000000, -0.0002130500000000 ] - [ 0.0001647200000000, 0.0009262700000000, 0.0000653000000000 ] - [ -0.0001905500000000, -0.0005642500000000, 0.0002214700000000 ] - [ -0.0001070000000000, -0.0000335500000000, 0.0002132700000000 ] - [ -0.0000870500000000, -0.0000710800000000, 0.0002350400000000 ] - [ -0.0192681800000000, -0.0107866500000000, -0.0013834000000000 ] - [ 0.0010162700000000, -0.0005122200000000, 0.0010669100000000 ] - [ -0.0005447300000000, 0.0064349300000000, 0.0071167200000000 ] - [ 0.0008489600000000, 0.0004032600000000, 0.0007946400000000 ] - [ 0.0009202500000000, 0.0005710900000000, 0.0014429900000000 ] - [ -0.0027030100000000, -0.0010112100000000, 0.0036103100000000 ] - [ -0.0001782600000000, -0.0001863900000000, -0.0006423300000000 ] - [ -0.0001708900000000, 0.0000245000000000, 0.0001394600000000 ] - [ -0.0001916700000000, -0.0001670300000000, -0.0002301900000000 ] - [ -0.0001198300000000, -0.0000973100000000, -0.0001344500000000 ] - [ -0.0012521400000000, -0.0005809200000000, -0.0011766900000000 ] - [ -0.0000659700000000, 0.0001602000000000, -0.0000328500000000 ] - [ 0.0003211200000000, -0.0004246000000000, -0.0005143700000000 ] - [ 0.0000912500000000, -0.0008599700000000, 0.0000185600000000 ] - [ 0.0000582500000000, 0.0009237800000000, -0.0003133800000000 ] - [ 0.0001785300000000, 0.0008358600000000, -0.0003067600000000 ] - [ -0.0001610900000000, -0.0000580700000000, 0.0001779900000000 ] - [ -0.0000373200000000, 0.0003781800000000, 0.0002471100000000 ] - [ 0.0004529800000000, -0.0036205900000000, -0.0000515700000000 ] - [ -0.0000907300000000, 0.0001049800000000, 0.0005039200000000 ] - [ 0.0007166200000000, -0.0000570300000000, 0.0003155700000000 ] - [ 0.0007268300000000, -0.0001808600000000, 0.0004684600000000 ] - [ 0.0008030000000000, 0.0002939600000000, 0.0003386700000000 ] - [ 0.0007471000000000, 0.0003309300000000, 0.0006316500000000 ] - [ -0.0001016800000000, 0.0000782800000000, -0.0001762500000000 ] - [ -0.0000410200000000, 0.0000892300000000, -0.0002554000000000 ] - [ 0.0001783400000000, -0.0001431800000000, -0.0007853700000000 ] - [ -0.0002208500000000, -0.0000290500000000, 0.0000868100000000 ] - [ -0.0052823600000000, 0.0017663100000000, -0.0198949700000000 ] - [ -0.0007962400000000, 0.0008418300000000, -0.0015284300000000 ] - [ -0.0137776100000000, -0.0237799400000000, -0.0138401700000000 ] - [ -0.0006124900000000, 0.0003327800000000, 0.0000205900000000 ] - [ -0.0003487800000000, 0.0003594900000000, 0.0007140400000000 ] - [ -0.0001662800000000, 0.0002731400000000, 0.0002212800000000 ] - [ -0.0064842400000000, -0.0016450800000000, -0.0006575600000000 ] - [ 0.0015343400000000, 0.0005177600000000, -0.0019734700000000 ] - [ 0.0000481800000000, -0.0008672800000000, 0.0004188200000000 ] - [ 0.0005077200000000, -0.0007193900000000, -0.0001799500000000 ] - [ 0.0001181800000000, 0.0012619600000000, 0.0002204800000000 ] - [ 0.0000647800000000, 0.0000442900000000, 0.0022154400000000 ] - [ 0.0078793100000000, 0.0062059600000000, 0.0115269100000000 ] - [ -0.0003015900000000, 0.0006066700000000, 0.0000034200000000 ] - [ -0.0031302300000000, 0.0053484600000000, -0.0014167000000000 ] - [ 0.0005073600000000, 0.0000497700000000, -0.0008044800000000 ] - [ 0.1057269600000000, 0.0560159300000000, 0.0829950100000000 ] - [ -0.0006996100000000, 0.0005997800000000, -0.0013479200000000 ] - [ -0.0002383400000000, -0.0000093000000000, -0.0012419900000000 ] - [ -0.0002816500000000, -0.0033840400000000, -0.0062051800000000 ] - [ 0.0053164800000000, 0.0048137500000000, -0.0025267500000000 ] - [ -0.0016802100000000, 0.0002315200000000, 0.0001581200000000 ] - [ 0.0010059500000000, 0.0005331400000000, 0.0008050400000000 ] - [ -0.0007682100000000, -0.0006870000000000, -0.0009701900000000 ] - [ -0.0001467600000000, 0.0002543300000000, -0.0000064200000000 ] - [ -0.0001204300000000, 0.0003687200000000, -0.0002010100000000 ] - [ -0.0005739400000000, -0.0000890500000000, 0.0008290700000000 ] - [ -0.0004423500000000, 0.0000983600000000, 0.0004712000000000 ] - [ -0.0002602400000000, 0.0022186200000000, 0.0011826700000000 ] - [ -0.0003240200000000, 0.0001344900000000, -0.0000329500000000 ] - [ -0.0002665100000000, -0.0002474800000000, 0.0004408600000000 ] - [ -0.0004028100000000, -0.0005272300000000, 0.0003486500000000 ] - [ 0.0032991200000000, -0.0058526600000000, 0.0012674100000000 ] - [ 0.0001700500000000, -0.0005539400000000, -0.0001258700000000 ] - [ 0.0003528500000000, 0.0007425500000000, 0.0000493000000000 ] - [ 0.0004126500000000, 0.0000739600000000, 0.0000956200000000 ] - [ 0.0000473100000000, 0.0003542600000000, 0.0001856600000000 ] - [ 0.0002141800000000, 0.0002284800000000, -0.0001191400000000 ] - [ 0.0002639200000000, -0.0007843000000000, 0.0001128000000000 ] - [ 0.0001783400000000, -0.0003972900000000, 0.0000965600000000 ] - [ -0.0001510000000000, 0.0001998900000000, -0.0002043000000000 ] - [ -0.0001643400000000, 0.0002836500000000, -0.0004810200000000 ] - [ -0.0001036000000000, -0.0004978400000000, -0.0006023300000000 ] - [ -0.0001004800000000, -0.0006019400000000, -0.0000750800000000 ] - [ -0.0004139300000000, -0.0004299700000000, 0.0005259700000000 ] - [ -0.0003609800000000, -0.0001853600000000, 0.0006946100000000 ] - [ -0.0004286700000000, -0.0008819600000000, 0.0000963000000000 ] - [ 0.0000930100000000, -0.0000568200000000, -0.0002380200000000 ] - [ -0.0815391400000000, -0.0355088900000000, -0.0527489900000000 ] - [ 0.0012586800000000, -0.0018570000000000, 0.0013960200000000 ] - [ -0.0018007700000000, -0.0039183600000000, 0.0014355000000000 ] - [ 0.0014464500000000, -0.0000751600000000, 0.0030733600000000 ] - [ 0.0000958900000000, -0.0006372600000000, -0.0005105500000000 ] - [ -0.0001362300000000, -0.0007900800000000, 0.0000359600000000 ] - [ -0.0002273100000000, 0.0013043300000000, 0.0000984600000000 ] - [ -0.0004308400000000, 0.0009516900000000, -0.0005617700000000 ] - [ 0.0127946100000000, -0.0022948000000000, -0.0069852200000000 ] - [ -0.0004683000000000, 0.0004234300000000, 0.0013653200000000 ] - [ 0.0008731500000000, 0.0012197200000000, -0.0035835500000000 ] - [ -0.0000797000000000, -0.0005655100000000, -0.0003128400000000 ] - [ 0.0000052200000000, 0.0004131100000000, -0.0006599000000000 ] - [ 0.0001041200000000, 0.0002427200000000, -0.0001829900000000 ] - [ 0.0003315000000000, 0.0007661100000000, 0.0000895400000000 ] - [ 0.0002235700000000, -0.0003717000000000, -0.0002018200000000 ]- atom: 57 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0012296700000000, 0.0003283600000000, -0.0017392900000000 ] - [ 0.0002977700000000, 0.0008595600000000, 0.0004424200000000 ] - [ -0.0002514200000000, -0.0003193900000000, -0.0003387900000000 ] - [ -0.0001017000000000, -0.0001258600000000, 0.0000997200000000 ] - [ 0.0002026100000000, -0.0020767300000000, -0.0004360200000000 ] - [ 0.0001839900000000, -0.0023252400000000, -0.0002996200000000 ] - [ -0.0028522100000000, -0.0102446100000000, -0.0011284400000000 ] - [ 0.0002990100000000, 0.0018159300000000, -0.0002001800000000 ] - [ -0.0001899700000000, 0.0001559500000000, -0.0002550900000000 ] - [ 0.0000767600000000, 0.0006319500000000, 0.0002031800000000 ] - [ 0.0000893800000000, -0.0018211800000000, 0.0000701400000000 ] - [ 0.0001452800000000, -0.0016703800000000, 0.0001108200000000 ] - [ 0.0129875600000000, 0.1065820100000000, -0.0966602900000000 ] - [ 0.0009169700000000, 0.0014808600000000, -0.0004141400000000 ] - [ 0.0018388400000000, -0.0042918100000000, -0.0040653400000000 ] - [ 0.0013478800000000, 0.0013293800000000, 0.0022632100000000 ] - [ -0.0002838100000000, 0.0011656700000000, -0.0024319100000000 ] - [ -0.0012641900000000, 0.0002314300000000, 0.0012940300000000 ] - [ 0.0003697000000000, -0.0006545300000000, -0.0011510100000000 ] - [ -0.0000629300000000, -0.0000759800000000, -0.0000837400000000 ] - [ -0.0002748900000000, -0.0006163200000000, -0.0002664500000000 ] - [ -0.0003329800000000, -0.0005198800000000, -0.0003114500000000 ] - [ 0.0026845700000000, -0.0002594600000000, 0.0029660300000000 ] - [ -0.0003151900000000, 0.0002129900000000, -0.0005221500000000 ] - [ -0.0001215300000000, -0.0009118100000000, 0.0006289200000000 ] - [ 0.0004992800000000, -0.0010894500000000, -0.0007545700000000 ] - [ 0.0001808600000000, -0.0008350700000000, -0.0003125200000000 ] - [ 0.0001666500000000, -0.0004275500000000, -0.0003172600000000 ] - [ -0.0004061100000000, -0.0019577200000000, 0.0003768300000000 ] - [ -0.0002355000000000, -0.0009226400000000, 0.0003057800000000 ] - [ 0.0004035700000000, 0.0002622000000000, 0.0009822100000000 ] - [ -0.0004805700000000, 0.0011199600000000, -0.0002074900000000 ] - [ 0.0008342500000000, -0.0013663200000000, 0.0012712000000000 ] - [ 0.0007726100000000, -0.0010432600000000, 0.0010899900000000 ] - [ 0.0004037300000000, -0.0009437900000000, 0.0005529200000000 ] - [ 0.0006310800000000, -0.0008329400000000, -0.0006541800000000 ] - [ -0.0003319900000000, -0.0004103800000000, 0.0002587800000000 ] - [ -0.0002688100000000, -0.0003137100000000, 0.0001731800000000 ] - [ 0.0004920400000000, -0.0004418500000000, -0.0002498700000000 ] - [ -0.0000004300000000, -0.0001996400000000, -0.0004519900000000 ] - [ -0.0114826500000000, -0.0085542400000000, -0.0145675800000000 ] - [ 0.0004222800000000, -0.0030278100000000, 0.0015934000000000 ] - [ 0.0196599900000000, 0.0107031500000000, 0.0153409300000000 ] - [ -0.0014824700000000, -0.0025082500000000, 0.0005290300000000 ] - [ -0.0007010500000000, 0.0018713700000000, 0.0011104000000000 ] - [ -0.0004339200000000, 0.0017923200000000, -0.0001349700000000 ] - [ 0.0004798900000000, -0.0022964000000000, 0.0019551900000000 ] - [ -0.0001368200000000, -0.0015719600000000, -0.0008608800000000 ] - [ 0.0004314300000000, 0.0012855600000000, 0.0002116000000000 ] - [ 0.0004191300000000, 0.0005339900000000, 0.0000528300000000 ] - [ -0.0009897100000000, -0.0001984500000000, 0.0041320400000000 ] - [ 0.0013521800000000, -0.0010290500000000, -0.0025112200000000 ] - [ 0.0012864300000000, -0.0018341100000000, 0.0214844200000000 ] - [ 0.0010352900000000, -0.0023046300000000, -0.0009657400000000 ] - [ -0.0027655300000000, 0.0010800600000000, -0.0000220800000000 ] - [ 0.0006041300000000, -0.0011348100000000, 0.0009334900000000 ] - [ -0.0561977400000000, -0.2430630000000000, 0.0561275800000000 ] - [ -0.0003628700000000, -0.0020249600000000, -0.0001653000000000 ] - [ -0.0031644400000000, 0.0020871100000000, -0.0023237500000000 ] - [ 0.0002503300000000, 0.0020930900000000, 0.0037195500000000 ] - [ -0.0045701700000000, 0.0240982300000000, -0.0227966200000000 ] - [ -0.0004249400000000, -0.0020346200000000, 0.0016278500000000 ] - [ -0.0003038200000000, 0.0031134600000000, 0.0013312100000000 ] - [ 0.0002987800000000, 0.0001688300000000, 0.0002397600000000 ] - [ -0.0005562800000000, 0.0027473600000000, -0.0007304500000000 ] - [ -0.0005625700000000, 0.0024887400000000, -0.0005797200000000 ] - [ 0.0003336300000000, 0.0026400600000000, -0.0001546500000000 ] - [ -0.0001600400000000, 0.0019119400000000, 0.0007130800000000 ] - [ -0.0022319000000000, 0.0007038000000000, -0.0014587500000000 ] - [ 0.0000364500000000, -0.0002281000000000, 0.0013093700000000 ] - [ 0.0000498700000000, 0.0016260600000000, 0.0002593200000000 ] - [ -0.0000540000000000, 0.0008240400000000, 0.0002922000000000 ] - [ 0.0024979100000000, 0.0263443300000000, -0.0001416200000000 ] - [ 0.0003900800000000, -0.0011349000000000, 0.0001737200000000 ] - [ 0.0004014900000000, 0.0023607200000000, -0.0000539200000000 ] - [ 0.0004112700000000, 0.0022036700000000, 0.0000571600000000 ] - [ 0.0000006900000000, 0.0017530300000000, 0.0001189400000000 ] - [ -0.0003330400000000, 0.0020892200000000, 0.0009635500000000 ] - [ -0.0005165900000000, 0.0019746000000000, 0.0001507100000000 ] - [ 0.0003109400000000, 0.0005166400000000, -0.0005647800000000 ] - [ 0.0000322800000000, 0.0023352200000000, -0.0005408700000000 ] - [ -0.0000510400000000, 0.0018771900000000, -0.0003568900000000 ] - [ -0.0003568900000000, 0.0007326700000000, 0.0010141000000000 ] - [ -0.0002679000000000, 0.0007314600000000, -0.0014743700000000 ] - [ -0.0008487400000000, 0.0018510900000000, 0.0012546100000000 ] - [ -0.0007451400000000, 0.0011310000000000, 0.0003053100000000 ] - [ 0.0001261500000000, 0.0009049900000000, 0.0007430900000000 ] - [ -0.0002054200000000, -0.0002397700000000, -0.0002396500000000 ] - [ 0.0350639300000000, 0.0955817300000000, 0.0465464700000000 ] - [ -0.0001779800000000, 0.0049593800000000, -0.0006173000000000 ] - [ 0.0085416800000000, -0.0083231700000000, -0.0057024900000000 ] - [ -0.0019927400000000, 0.0021387800000000, -0.0026239700000000 ] - [ -0.0003554600000000, -0.0046112600000000, 0.0004043600000000 ] - [ 0.0003528300000000, -0.0039579900000000, -0.0003043400000000 ] - [ 0.0009626700000000, -0.0022069500000000, -0.0022366100000000 ] - [ 0.0004397100000000, -0.0009113200000000, 0.0012217400000000 ] - [ -0.0004735400000000, 0.0109641500000000, -0.0004777800000000 ] - [ -0.0006045500000000, 0.0059438100000000, 0.0006852100000000 ] - [ -0.0017523000000000, -0.0016685400000000, 0.0019795300000000 ] - [ 0.0007790700000000, -0.0018945400000000, -0.0022513200000000 ] - [ 0.0001438800000000, -0.0026755800000000, 0.0000235800000000 ] - [ 0.0001153700000000, -0.0020298200000000, -0.0005580900000000 ] - [ -0.0013741100000000, -0.0047283800000000, -0.0035300300000000 ] - [ 0.0001268400000000, -0.0014489300000000, 0.0005028600000000 ]- atom: 57 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0016331600000000, -0.0006776700000000, 0.0012925800000000 ] - [ -0.0007106200000000, -0.0012055700000000, -0.0008953400000000 ] - [ -0.0001591700000000, 0.0006638800000000, -0.0001097700000000 ] - [ -0.0003070500000000, 0.0004712300000000, -0.0005476000000000 ] - [ 0.0001594300000000, 0.0006248100000000, -0.0002443700000000 ] - [ 0.0001776300000000, 0.0008772900000000, -0.0003805800000000 ] - [ 0.0032178000000000, 0.0115635700000000, 0.0004513200000000 ] - [ 0.0000638000000000, -0.0003638200000000, -0.0004802100000000 ] - [ -0.0000241500000000, 0.0001399800000000, 0.0006875600000000 ] - [ -0.0002934500000000, -0.0003346600000000, 0.0002259800000000 ] - [ -0.0003058900000000, 0.0015238300000000, 0.0003601400000000 ] - [ -0.0003620000000000, 0.0013729700000000, 0.0003193100000000 ] - [ -0.0113061300000000, -0.1050814700000000, 0.0911626200000000 ] - [ 0.0005438300000000, -0.0018725700000000, 0.0013013900000000 ] - [ -0.0003650200000000, 0.0046776800000000, 0.0049421300000000 ] - [ 0.0001093900000000, -0.0009432500000000, -0.0013863400000000 ] - [ 0.0001008100000000, -0.0010552700000000, 0.0020736000000000 ] - [ 0.0010568700000000, -0.0001302000000000, -0.0016357100000000 ] - [ -0.0005633400000000, 0.0005478400000000, 0.0007904600000000 ] - [ -0.0001283200000000, -0.0000320500000000, -0.0002807600000000 ] - [ -0.0001341800000000, 0.0002756300000000, -0.0001811500000000 ] - [ -0.0000754600000000, 0.0001787100000000, -0.0001360700000000 ] - [ -0.0031166700000000, 0.0005979900000000, -0.0034387100000000 ] - [ -0.0000917600000000, 0.0001296700000000, 0.0000770200000000 ] - [ 0.0004870200000000, -0.0005513600000000, -0.0013177200000000 ] - [ -0.0001401400000000, -0.0003788400000000, 0.0000792800000000 ] - [ 0.0001810800000000, 0.0023016600000000, -0.0003679800000000 ] - [ 0.0001951300000000, 0.0018939900000000, -0.0003639500000000 ] - [ 0.0001925600000000, 0.0022745900000000, 0.0000517600000000 ] - [ 0.0000208300000000, 0.0012379600000000, 0.0001228600000000 ] - [ -0.0006190600000000, -0.0006031200000000, -0.0005594900000000 ] - [ 0.0002671000000000, -0.0014354100000000, 0.0006388200000000 ] - [ 0.0006247400000000, 0.0009847700000000, -0.0003915300000000 ] - [ 0.0006866900000000, 0.0006584700000000, -0.0002085800000000 ] - [ 0.0010597400000000, 0.0013398300000000, 0.0003251800000000 ] - [ 0.0008289700000000, 0.0012273400000000, 0.0015445900000000 ] - [ 0.0001429500000000, 0.0005230100000000, -0.0006262600000000 ] - [ 0.0000788800000000, 0.0004255500000000, -0.0005405100000000 ] - [ -0.0006848500000000, 0.0003325700000000, -0.0001205300000000 ] - [ -0.0001912700000000, 0.0000906200000000, 0.0000888900000000 ] - [ 0.0113039900000000, 0.0094690000000000, 0.0143391900000000 ] - [ -0.0007158900000000, 0.0039217300000000, -0.0018466600000000 ] - [ -0.0201181800000000, -0.0101205500000000, -0.0139051500000000 ] - [ 0.0005903000000000, 0.0029212700000000, 0.0007306000000000 ] - [ 0.0000924800000000, -0.0012037600000000, -0.0003369500000000 ] - [ -0.0001780400000000, -0.0011236300000000, 0.0009111600000000 ] - [ -0.0011096700000000, 0.0016355000000000, -0.0011828000000000 ] - [ -0.0004635800000000, 0.0009080700000000, 0.0016250400000000 ] - [ 0.0003762000000000, -0.0025580100000000, -0.0000567400000000 ] - [ 0.0003862200000000, -0.0018095500000000, 0.0001007900000000 ] - [ 0.0018000800000000, 0.0014808100000000, -0.0039879400000000 ] - [ -0.0005594700000000, 0.0023040500000000, 0.0026893800000000 ] - [ -0.0009979800000000, 0.0024632100000000, -0.0212341200000000 ] - [ -0.0007152200000000, 0.0030852800000000, 0.0010787200000000 ] - [ 0.0030737900000000, -0.0018167200000000, 0.0001017200000000 ] - [ -0.0002817300000000, 0.0003620400000000, -0.0008277700000000 ] - [ 0.0544668100000000, 0.2428558000000000, -0.0517123900000000 ] - [ 0.0000306100000000, 0.0027668200000000, -0.0005089100000000 ] - [ 0.0028504200000000, -0.0028324100000000, 0.0016518700000000 ] - [ -0.0005896300000000, -0.0028268400000000, -0.0043874300000000 ] - [ 0.0037067100000000, -0.0244739100000000, 0.0238195800000000 ] - [ -0.0004676700000000, 0.0016321600000000, -0.0003667700000000 ] - [ 0.0000183300000000, -0.0040167300000000, -0.0015885300000000 ] - [ -0.0005880800000000, -0.0010536600000000, -0.0004851400000000 ] - [ 0.0002703400000000, -0.0018827400000000, 0.0004916500000000 ] - [ 0.0002775000000000, -0.0016221500000000, 0.0003379100000000 ] - [ -0.0012367700000000, -0.0022528500000000, 0.0014240700000000 ] - [ -0.0007361400000000, -0.0015156600000000, 0.0005465700000000 ] - [ 0.0016339300000000, -0.0000119000000000, 0.0022535800000000 ] - [ -0.0006517700000000, 0.0009113800000000, -0.0005417500000000 ] - [ -0.0006658500000000, -0.0023096600000000, 0.0005180100000000 ] - [ -0.0005595400000000, -0.0015062000000000, 0.0004841200000000 ] - [ -0.0017733400000000, -0.0283798800000000, 0.0002859700000000 ] - [ 0.0004159800000000, -0.0001250700000000, -0.0000185700000000 ] - [ 0.0004067200000000, -0.0011031500000000, 0.0002101600000000 ] - [ 0.0003962800000000, -0.0009440800000000, 0.0000988000000000 ] - [ 0.0003275400000000, -0.0009877500000000, -0.0000094800000000 ] - [ 0.0006646900000000, -0.0013276600000000, -0.0008625800000000 ] - [ 0.0008549300000000, -0.0027623700000000, -0.0000448000000000 ] - [ 0.0000162700000000, -0.0012909200000000, 0.0006776200000000 ] - [ -0.0003647200000000, -0.0016136100000000, -0.0001292900000000 ] - [ -0.0002790400000000, -0.0011509900000000, -0.0003155000000000 ] - [ 0.0000293700000000, -0.0014669100000000, -0.0016968800000000 ] - [ -0.0000619300000000, -0.0014692200000000, 0.0008152500000000 ] - [ -0.0000466400000000, -0.0022620500000000, 0.0000021000000000 ] - [ -0.0001494000000000, -0.0015373500000000, 0.0009597000000000 ] - [ -0.0004173600000000, -0.0017831100000000, -0.0009905000000000 ] - [ -0.0000805800000000, -0.0006320900000000, -0.0000022000000000 ] - [ -0.0344406600000000, -0.0977293600000000, -0.0458280900000000 ] - [ -0.0000007600000000, -0.0068830400000000, 0.0001841900000000 ] - [ -0.0088121600000000, 0.0102973300000000, 0.0053295300000000 ] - [ 0.0018174000000000, -0.0002309500000000, 0.0021879900000000 ] - [ 0.0001767300000000, 0.0027319800000000, -0.0008491500000000 ] - [ -0.0005405900000000, 0.0020724800000000, -0.0001290600000000 ] - [ -0.0011579300000000, 0.0041201000000000, 0.0018170000000000 ] - [ -0.0006289000000000, 0.0028177900000000, -0.0016728900000000 ] - [ 0.0006339100000000, -0.0107272300000000, -0.0003062300000000 ] - [ 0.0007748200000000, -0.0057081200000000, -0.0014539300000000 ] - [ 0.0019422800000000, 0.0014241800000000, -0.0027365100000000 ] - [ -0.0006141600000000, 0.0016556700000000, 0.0014983700000000 ] - [ 0.0000260100000000, 0.0029463700000000, -0.0007949400000000 ] - [ 0.0000554000000000, 0.0022955400000000, -0.0002052100000000 ] - [ 0.0015601600000000, 0.0045072600000000, 0.0027965700000000 ] - [ 0.0000436000000000, 0.0011958100000000, -0.0012746600000000 ]- atom: 57 displacement: [ -0.0049439770564842, 0.0000000000000000, 0.0086923581877968 ] forces: - [ 0.0028637800000000, -0.0012020100000000, -0.0008515000000000 ] - [ -0.0005140400000000, 0.0002746500000000, -0.0018208900000000 ] - [ 0.0000256600000000, 0.0000337300000000, 0.0003784900000000 ] - [ -0.0003844500000000, 0.0004729000000000, -0.0009982200000000 ] - [ 0.0001909400000000, -0.0011976900000000, -0.0002230200000000 ] - [ 0.0001865500000000, 0.0005342400000000, -0.0004714600000000 ] - [ -0.0011782800000000, -0.0021452900000000, 0.0069058100000000 ] - [ 0.0002668400000000, 0.0006903500000000, -0.0011152800000000 ] - [ -0.0000112700000000, -0.0003719800000000, 0.0006441500000000 ] - [ -0.0000782300000000, 0.0010935800000000, -0.0001133200000000 ] - [ -0.0000620100000000, -0.0003596500000000, 0.0001419300000000 ] - [ -0.0002921200000000, 0.0003032200000000, 0.0002453500000000 ] - [ -0.0122461500000000, -0.0790126700000000, 0.1188637400000000 ] - [ 0.0006412400000000, 0.0006423800000000, -0.0015862900000000 ] - [ -0.0002493700000000, 0.0011519700000000, 0.0026045200000000 ] - [ -0.0000784500000000, -0.0007544100000000, -0.0019096600000000 ] - [ -0.0007840500000000, -0.0002548400000000, -0.0000956400000000 ] - [ 0.0009041800000000, 0.0012754300000000, -0.0031228500000000 ] - [ -0.0007440300000000, -0.0001322800000000, 0.0019401700000000 ] - [ 0.0001341900000000, -0.0003250500000000, -0.0013974600000000 ] - [ -0.0001765200000000, -0.0000373100000000, -0.0001495400000000 ] - [ -0.0002111200000000, -0.0001871900000000, -0.0002697200000000 ] - [ 0.0003038900000000, 0.0009515700000000, 0.0006956100000000 ] - [ -0.0003441800000000, 0.0001396600000000, -0.0006788200000000 ] - [ 0.0000827100000000, 0.0012016400000000, -0.0001016400000000 ] - [ -0.0000795600000000, -0.0024522200000000, -0.0000904800000000 ] - [ 0.0001647500000000, 0.0010027400000000, -0.0002949700000000 ] - [ 0.0002506200000000, 0.0006678600000000, -0.0002948200000000 ] - [ 0.0001318900000000, 0.0013495100000000, 0.0002239000000000 ] - [ -0.0001554300000000, -0.0002538100000000, 0.0001169600000000 ] - [ -0.0005328100000000, 0.0034857100000000, 0.0006175600000000 ] - [ -0.0001844800000000, -0.0008713200000000, -0.0001252500000000 ] - [ 0.0007197200000000, -0.0001945000000000, 0.0005409700000000 ] - [ 0.0007180200000000, 0.0000830500000000, 0.0001535300000000 ] - [ 0.0007391700000000, 0.0005830100000000, 0.0010459000000000 ] - [ 0.0006978400000000, 0.0000366100000000, 0.0000592100000000 ] - [ 0.0000113600000000, 0.0001500700000000, -0.0003649400000000 ] - [ -0.0000991900000000, 0.0000601300000000, -0.0001634400000000 ] - [ -0.0003840500000000, 0.0001869300000000, 0.0009423200000000 ] - [ 0.0000668500000000, -0.0001611500000000, -0.0008738800000000 ] - [ 0.0164249700000000, 0.0004324500000000, 0.0084202500000000 ] - [ 0.0006967600000000, 0.0008963500000000, 0.0014811100000000 ] - [ -0.0021865100000000, -0.0059253500000000, -0.0127079900000000 ] - [ -0.0003102300000000, 0.0004328900000000, 0.0038921200000000 ] - [ -0.0002727100000000, 0.0011886400000000, -0.0012266900000000 ] - [ -0.0003398900000000, -0.0003815500000000, 0.0016137200000000 ] - [ -0.0022790100000000, -0.0001969200000000, -0.0018765100000000 ] - [ -0.0002898500000000, -0.0011544200000000, 0.0036278500000000 ] - [ 0.0002114700000000, -0.0010422700000000, -0.0007430500000000 ] - [ 0.0007466200000000, -0.0000783600000000, 0.0011255300000000 ] - [ -0.0017904100000000, 0.0038844300000000, 0.0040780300000000 ] - [ -0.0009675200000000, -0.0021427400000000, 0.0031289200000000 ] - [ 0.0036134000000000, 0.0267926000000000, 0.0332546600000000 ] - [ -0.0013062500000000, 0.0008604700000000, 0.0021308600000000 ] - [ 0.0032238800000000, 0.0020753600000000, -0.0059850000000000 ] - [ 0.0004477500000000, 0.0000217800000000, 0.0027010400000000 ] - [ -0.0235718000000000, 0.0704402200000000, -0.2924640700000000 ] - [ 0.0004519900000000, 0.0006187000000000, 0.0030360300000000 ] - [ 0.0048998600000000, -0.0036899300000000, 0.0007055400000000 ] - [ 0.0005538900000000, -0.0001310300000000, -0.0017791700000000 ] - [ 0.0094023600000000, -0.0429733100000000, 0.0223792900000000 ] - [ -0.0018851200000000, 0.0014511700000000, 0.0028066400000000 ] - [ 0.0005444000000000, -0.0046514400000000, -0.0046478100000000 ] - [ -0.0003674000000000, 0.0009863700000000, 0.0012435000000000 ] - [ -0.0001636200000000, 0.0005195900000000, -0.0002916600000000 ] - [ -0.0000344100000000, -0.0000779000000000, 0.0002042200000000 ] - [ -0.0004716900000000, -0.0001177000000000, 0.0001977000000000 ] - [ -0.0004909900000000, 0.0000601400000000, 0.0011151800000000 ] - [ -0.0002866600000000, -0.0020083500000000, -0.0005403300000000 ] - [ -0.0001902700000000, 0.0009322700000000, 0.0010497600000000 ] - [ -0.0005157500000000, -0.0012084900000000, 0.0003222700000000 ] - [ -0.0002672300000000, -0.0001035700000000, 0.0005230400000000 ] - [ 0.0010085000000000, -0.0003995300000000, -0.0043025300000000 ] - [ 0.0003698200000000, -0.0007111700000000, 0.0011275500000000 ] - [ 0.0004185100000000, -0.0002745800000000, 0.0001978800000000 ] - [ 0.0003932300000000, 0.0008717600000000, -0.0000248000000000 ] - [ 0.0002331100000000, 0.0000827000000000, -0.0002354200000000 ] - [ 0.0001750000000000, 0.0002666500000000, 0.0002532800000000 ] - [ 0.0002390400000000, -0.0003821300000000, -0.0003243600000000 ] - [ -0.0000329800000000, -0.0007749100000000, 0.0005183300000000 ] - [ -0.0002931900000000, 0.0000895200000000, -0.0007319600000000 ] - [ -0.0000526800000000, 0.0002927800000000, 0.0001104800000000 ] - [ -0.0003776200000000, 0.0005689900000000, -0.0005212000000000 ] - [ 0.0000803000000000, -0.0016459400000000, -0.0002634700000000 ] - [ -0.0005416700000000, -0.0001686800000000, 0.0005134000000000 ] - [ -0.0002825700000000, -0.0007726700000000, 0.0006925000000000 ] - [ -0.0000999000000000, -0.0002900900000000, -0.0009300000000000 ] - [ -0.0003243300000000, -0.0011749000000000, 0.0004246100000000 ] - [ 0.0118027000000000, 0.0260821100000000, 0.1087429800000000 ] - [ -0.0004301800000000, -0.0017967700000000, -0.0052567400000000 ] - [ -0.0177908700000000, 0.0139953200000000, 0.0153720700000000 ] - [ 0.0003857600000000, -0.0024038700000000, -0.0020746000000000 ] - [ 0.0000081400000000, -0.0005132800000000, 0.0004606000000000 ] - [ -0.0002710200000000, -0.0005848000000000, -0.0009548600000000 ] - [ 0.0002184800000000, 0.0007113400000000, 0.0006533400000000 ] - [ -0.0001688100000000, 0.0020198500000000, -0.0009791000000000 ] - [ 0.0069172200000000, -0.0018906600000000, 0.0052115500000000 ] - [ 0.0003029700000000, -0.0012615600000000, -0.0078707100000000 ] - [ 0.0033388800000000, 0.0018157900000000, 0.0017976200000000 ] - [ 0.0010202600000000, -0.0051373600000000, -0.0055298000000000 ] - [ 0.0001043000000000, 0.0004301000000000, 0.0001655800000000 ] - [ 0.0000695100000000, 0.0005138500000000, -0.0009244100000000 ] - [ -0.0000075800000000, -0.0004352600000000, -0.0000747600000000 ] - [ 0.0000472000000000, 0.0007097100000000, -0.0010250400000000 ]- atom: 57 displacement: [ 0.0049439770564842, 0.0000000000000000, -0.0086923581877968 ] forces: - [ -0.0033093300000000, 0.0008773900000000, 0.0004221100000000 ] - [ 0.0001003700000000, -0.0006165000000000, 0.0013647400000000 ] - [ -0.0004307400000000, 0.0003102500000000, -0.0008205000000000 ] - [ -0.0000255800000000, -0.0001280300000000, 0.0005468700000000 ] - [ 0.0001708800000000, -0.0002615900000000, -0.0004562800000000 ] - [ 0.0001756100000000, -0.0019866400000000, -0.0002098800000000 ] - [ 0.0015024100000000, 0.0035750400000000, -0.0076541100000000 ] - [ 0.0000955700000000, 0.0007685300000000, 0.0004361100000000 ] - [ -0.0002023200000000, 0.0006900200000000, -0.0002171200000000 ] - [ -0.0001366300000000, -0.0007870900000000, 0.0005435700000000 ] - [ -0.0001531800000000, 0.0000539900000000, 0.0002875600000000 ] - [ 0.0000753100000000, -0.0006041400000000, 0.0001848600000000 ] - [ 0.0119806700000000, 0.0853176100000000, -0.1239099700000000 ] - [ 0.0008210400000000, -0.0010346700000000, 0.0024719600000000 ] - [ 0.0016975700000000, -0.0007358200000000, -0.0016812800000000 ] - [ 0.0015318000000000, 0.0011311100000000, 0.0027748600000000 ] - [ 0.0006030300000000, 0.0003614700000000, -0.0002609800000000 ] - [ -0.0011181700000000, -0.0011728800000000, 0.0027812500000000 ] - [ 0.0005502300000000, 0.0000224500000000, -0.0022927700000000 ] - [ -0.0003223800000000, 0.0002123500000000, 0.0010252400000000 ] - [ -0.0002310100000000, -0.0003041800000000, -0.0002961400000000 ] - [ -0.0001961600000000, -0.0001553900000000, -0.0001757400000000 ] - [ -0.0007079000000000, -0.0006101400000000, -0.0011309300000000 ] - [ -0.0000644100000000, 0.0002046600000000, 0.0002341400000000 ] - [ 0.0002792800000000, -0.0026503100000000, -0.0005772500000000 ] - [ 0.0004414700000000, 0.0010069700000000, -0.0005976000000000 ] - [ 0.0001971100000000, 0.0004609900000000, -0.0003850700000000 ] - [ 0.0001118600000000, 0.0007908200000000, -0.0003848100000000 ] - [ -0.0003455400000000, -0.0010337800000000, 0.0002058200000000 ] - [ -0.0000597500000000, 0.0005606300000000, 0.0003124300000000 ] - [ 0.0003210800000000, -0.0038007600000000, -0.0001877200000000 ] - [ -0.0000291000000000, 0.0005667000000000, 0.0005594500000000 ] - [ 0.0007400800000000, -0.0001921700000000, 0.0003421500000000 ] - [ 0.0007418300000000, -0.0004713500000000, 0.0007313200000000 ] - [ 0.0007202300000000, -0.0001913200000000, -0.0001556400000000 ] - [ 0.0007624000000000, 0.0003568000000000, 0.0008302100000000 ] - [ -0.0002003300000000, -0.0000387500000000, -0.0000025900000000 ] - [ -0.0000916800000000, 0.0000500500000000, -0.0001999400000000 ] - [ 0.0001962200000000, -0.0002960200000000, -0.0013087300000000 ] - [ -0.0002581600000000, 0.0000525200000000, 0.0005126200000000 ] - [ -0.0165164600000000, 0.0004389400000000, -0.0087683500000000 ] - [ -0.0009909700000000, 0.0000029000000000, -0.0017403000000000 ] - [ 0.0012255800000000, 0.0062758300000000, 0.0139087300000000 ] - [ -0.0005812500000000, -0.0000135900000000, -0.0026184000000000 ] - [ -0.0003408500000000, -0.0005111500000000, 0.0019909500000000 ] - [ -0.0002738500000000, 0.0010488500000000, -0.0008276100000000 ] - [ 0.0016913800000000, -0.0004841600000000, 0.0026564400000000 ] - [ -0.0003054500000000, 0.0004850900000000, -0.0028651100000000 ] - [ 0.0005940000000000, -0.0002317000000000, 0.0008941900000000 ] - [ 0.0000633700000000, -0.0011848500000000, -0.0009631000000000 ] - [ 0.0026384200000000, -0.0026660200000000, -0.0040086700000000 ] - [ 0.0017433300000000, 0.0033805100000000, -0.0029223100000000 ] - [ -0.0032700200000000, -0.0254200700000000, -0.0324840900000000 ] - [ 0.0016282800000000, -0.0000681200000000, -0.0020190300000000 ] - [ -0.0028754500000000, -0.0028497600000000, 0.0060762500000000 ] - [ -0.0001192600000000, -0.0007899600000000, -0.0025858000000000 ] - [ 0.0234385800000000, -0.0780376100000000, 0.2958387400000000 ] - [ -0.0007814200000000, 0.0001247900000000, -0.0037117100000000 ] - [ -0.0052052000000000, 0.0029435100000000, -0.0013700600000000 ] - [ -0.0008788800000000, -0.0006101800000000, 0.0010749800000000 ] - [ -0.0103106100000000, 0.0426059700000000, -0.0211299500000000 ] - [ 0.0009736200000000, -0.0018460300000000, -0.0015437100000000 ] - [ -0.0008292900000000, 0.0037437500000000, 0.0043838300000000 ] - [ 0.0000726600000000, -0.0018638200000000, -0.0014855800000000 ] - [ -0.0001253400000000, 0.0003632100000000, 0.0000446500000000 ] - [ -0.0002544700000000, 0.0009562300000000, -0.0004454000000000 ] - [ -0.0004275600000000, 0.0005170900000000, 0.0010619700000000 ] - [ -0.0004081000000000, 0.0003372100000000, 0.0001483900000000 ] - [ -0.0003310800000000, 0.0026841100000000, 0.0013119800000000 ] - [ -0.0004216500000000, -0.0002633800000000, -0.0002767300000000 ] - [ -0.0000983800000000, 0.0005279100000000, 0.0004546200000000 ] - [ -0.0003444900000000, -0.0005704300000000, 0.0002511100000000 ] - [ -0.0001775600000000, -0.0007627200000000, 0.0044729400000000 ] - [ 0.0004369900000000, -0.0005611200000000, -0.0009740400000000 ] - [ 0.0003873100000000, 0.0015378400000000, -0.0000406400000000 ] - [ 0.0004135400000000, 0.0003952200000000, 0.0001779500000000 ] - [ 0.0000943100000000, 0.0006864000000000, 0.0003402000000000 ] - [ 0.0001507400000000, 0.0005031500000000, -0.0001424000000000 ] - [ 0.0000817700000000, -0.0003927400000000, 0.0004367100000000 ] - [ 0.0003588300000000, -0.0000024900000000, -0.0004082700000000 ] - [ -0.0000358900000000, 0.0006434400000000, 0.0000570500000000 ] - [ -0.0002748800000000, 0.0004432100000000, -0.0007829900000000 ] - [ 0.0000517500000000, -0.0013199400000000, -0.0001479800000000 ] - [ -0.0004075700000000, 0.0009001100000000, -0.0004137000000000 ] - [ -0.0003542100000000, -0.0002412300000000, 0.0007493800000000 ] - [ -0.0006158500000000, 0.0003658400000000, 0.0005686900000000 ] - [ -0.0001927200000000, -0.0006063000000000, 0.0006859800000000 ] - [ 0.0000347600000000, 0.0002865200000000, -0.0006724000000000 ] - [ -0.0104908800000000, -0.0269642600000000, -0.1078714100000000 ] - [ 0.0002457500000000, -0.0001386400000000, 0.0048235800000000 ] - [ 0.0174945100000000, -0.0119902100000000, -0.0157190300000000 ] - [ -0.0005584600000000, 0.0042891900000000, 0.0016450900000000 ] - [ -0.0001883000000000, -0.0013853600000000, -0.0008962900000000 ] - [ 0.0000905200000000, -0.0013118700000000, 0.0005125200000000 ] - [ -0.0003955900000000, 0.0012079400000000, -0.0011001500000000 ] - [ -0.0000124200000000, -0.0001082500000000, 0.0005412100000000 ] - [ -0.0067914200000000, 0.0021423600000000, -0.0059021600000000 ] - [ -0.0001247900000000, 0.0014730800000000, 0.0071026800000000 ] - [ -0.0031504800000000, -0.0020743400000000, -0.0025730000000000 ] - [ -0.0008476300000000, 0.0048620600000000, 0.0047459200000000 ] - [ 0.0000665800000000, -0.0001726300000000, -0.0009281600000000 ] - [ 0.0001001700000000, -0.0002548600000000, 0.0001573100000000 ] - [ 0.0001743500000000, 0.0001846100000000, -0.0007002400000000 ] - [ 0.0001238800000000, -0.0009578800000000, 0.0002624900000000 ]- atom: 89 displacement: [ 0.0099998839938813, 0.0000000000000000, -0.0000481675089282 ] forces: - [ -0.0025538900000000, -0.0002644700000000, -0.0005773100000000 ] - [ -0.0016218100000000, 0.0038542800000000, -0.0046751400000000 ] - [ 0.0016482100000000, 0.0002268100000000, 0.0003878400000000 ] - [ -0.0006849800000000, 0.0002773000000000, -0.0004582400000000 ] - [ -0.0002244400000000, 0.0008243300000000, -0.0004170300000000 ] - [ 0.0003158400000000, -0.0012551600000000, -0.0004857200000000 ] - [ 0.0011082200000000, 0.0135761200000000, -0.0003910900000000 ] - [ 0.0006863200000000, 0.0008260600000000, -0.0000292100000000 ] - [ -0.0000313300000000, -0.0002501300000000, -0.0000640000000000 ] - [ 0.0000874500000000, -0.0011592500000000, 0.0004674900000000 ] - [ -0.0000100500000000, -0.0013639200000000, -0.0000835300000000 ] - [ -0.0001150600000000, -0.0001338700000000, 0.0002565800000000 ] - [ 0.0030530800000000, -0.0155950300000000, 0.0219673400000000 ] - [ 0.0025656000000000, -0.0004715900000000, 0.0017641900000000 ] - [ -0.0004837700000000, 0.0257516800000000, 0.0254550200000000 ] - [ 0.0010660500000000, -0.0001400800000000, 0.0002447500000000 ] - [ 0.0012924100000000, 0.0011998500000000, -0.0005993300000000 ] - [ -0.0122281100000000, -0.0019280800000000, 0.0181586200000000 ] - [ -0.0006647800000000, -0.0015401200000000, 0.0011723600000000 ] - [ -0.0001006300000000, -0.0002088900000000, -0.0002666100000000 ] - [ -0.0002240600000000, -0.0001932500000000, -0.0003151400000000 ] - [ -0.0000132500000000, -0.0001341000000000, -0.0000299100000000 ] - [ -0.0031634400000000, -0.0000264300000000, -0.0026580600000000 ] - [ -0.0001032900000000, 0.0001733000000000, 0.0000072700000000 ] - [ -0.0003274900000000, 0.0012712900000000, -0.0000217400000000 ] - [ 0.0001715600000000, 0.0000607000000000, -0.0001740300000000 ] - [ -0.0001333200000000, 0.0012335600000000, -0.0003487200000000 ] - [ 0.0002892000000000, 0.0002023600000000, -0.0001127100000000 ] - [ -0.0003132000000000, -0.0001613600000000, 0.0002291100000000 ] - [ 0.0001126500000000, 0.0000958000000000, 0.0002121200000000 ] - [ 0.0047507700000000, -0.0170483000000000, -0.0001320600000000 ] - [ -0.0000142400000000, 0.0002476300000000, 0.0005011400000000 ] - [ 0.0007214900000000, -0.0001538700000000, 0.0003399700000000 ] - [ 0.0007438300000000, -0.0004451800000000, 0.0007387900000000 ] - [ 0.0009393600000000, 0.0002350700000000, 0.0003645000000000 ] - [ 0.0007978200000000, 0.0002902000000000, 0.0006854800000000 ] - [ -0.0001522800000000, 0.0000701100000000, -0.0001950000000000 ] - [ -0.0000011300000000, -0.0000672500000000, -0.0001931400000000 ] - [ 0.0009404700000000, -0.0004113500000000, -0.0024833800000000 ] - [ -0.0002901500000000, -0.0000225500000000, 0.0003294800000000 ] - [ 0.1407265600000000, -0.1115719600000000, 0.0665003500000000 ] - [ -0.0012094300000000, -0.0003835800000000, -0.0001529400000000 ] - [ 0.1469932200000000, 0.1007529200000000, -0.0620640000000000 ] - [ -0.0021641700000000, -0.0009707000000000, 0.0024254900000000 ] - [ -0.0014700200000000, 0.0036470800000000, -0.0005502900000000 ] - [ 0.0004048800000000, -0.0000930800000000, 0.0013722100000000 ] - [ -0.0035354100000000, 0.0001493500000000, 0.0027058500000000 ] - [ 0.0082345000000000, 0.0002274700000000, -0.0106190600000000 ] - [ -0.0009911000000000, -0.0020964900000000, 0.0000228200000000 ] - [ 0.0015186900000000, 0.0008383700000000, 0.0007754000000000 ] - [ 0.0019358900000000, -0.0005555500000000, -0.0019871700000000 ] - [ -0.0035317500000000, -0.0053808900000000, 0.0027255500000000 ] - [ 0.2066768000000000, -0.0864338900000000, -0.1215896000000000 ] - [ -0.0008107000000000, 0.0010780800000000, 0.0016198000000000 ] - [ -0.0071190200000000, 0.0026787200000000, -0.0030057700000000 ] - [ 0.0043924700000000, 0.0013228800000000, -0.0003984800000000 ] - [ 0.0811988800000000, 0.0342979500000000, 0.0572481900000000 ] - [ -0.0014970800000000, 0.0002844900000000, -0.0014646500000000 ] - [ -0.0016699700000000, 0.0015194400000000, -0.0006261700000000 ] - [ 0.0014094300000000, -0.0090672100000000, -0.0198093900000000 ] - [ 0.0006704200000000, 0.0119286600000000, -0.0046435300000000 ] - [ -0.0078080300000000, -0.0020290600000000, -0.0035683000000000 ] - [ 0.0033205500000000, 0.0004617700000000, 0.0011082600000000 ] - [ -0.0024924000000000, -0.0006570400000000, -0.0020198000000000 ] - [ -0.0005595300000000, 0.0014551500000000, -0.0001917200000000 ] - [ -0.0000836100000000, 0.0005324400000000, -0.0001424600000000 ] - [ -0.0006898400000000, 0.0001277400000000, 0.0006801200000000 ] - [ -0.0003115200000000, 0.0003945500000000, 0.0002919000000000 ] - [ -0.0020250600000000, 0.0116085500000000, 0.0023049500000000 ] - [ -0.0004244900000000, 0.0000186100000000, -0.0002028900000000 ] - [ -0.0001243900000000, -0.0001221800000000, 0.0004493500000000 ] - [ -0.0005336100000000, -0.0002066300000000, 0.0003159700000000 ] - [ 0.0013459600000000, -0.0083885200000000, 0.0014510700000000 ] - [ -0.0001054200000000, -0.0007857000000000, -0.0003863100000000 ] - [ 0.0003023500000000, 0.0009885100000000, 0.0002672400000000 ] - [ 0.0005853600000000, -0.0002842000000000, -0.0000385400000000 ] - [ -0.0003308800000000, 0.0009139000000000, 0.0002456100000000 ] - [ 0.0002579800000000, 0.0003395000000000, -0.0000755300000000 ] - [ 0.0006355900000000, -0.0005501500000000, 0.0004154200000000 ] - [ 0.0002605700000000, -0.0002019400000000, 0.0000673600000000 ] - [ -0.0003356500000000, 0.0001002600000000, -0.0003247300000000 ] - [ -0.0001012000000000, 0.0008173300000000, -0.0005036600000000 ] - [ 0.0001928300000000, -0.0008968800000000, -0.0002191200000000 ] - [ -0.0000068900000000, -0.0014296700000000, 0.0001022600000000 ] - [ -0.0004626200000000, -0.0000288000000000, 0.0008441700000000 ] - [ -0.0001095200000000, 0.0002024600000000, 0.0006198700000000 ] - [ -0.0003663100000000, 0.0004201000000000, 0.0014440800000000 ] - [ 0.0005580400000000, 0.0003896600000000, -0.0003960500000000 ] - [ -0.6377792500000000, 0.0624463700000000, 0.0425478100000000 ] - [ 0.0030941100000000, 0.0005914300000000, -0.0004968000000000 ] - [ 0.0006270900000000, -0.0083884800000000, 0.0008795500000000 ] - [ 0.0005839700000000, -0.0002211100000000, 0.0112726400000000 ] - [ 0.0009487200000000, -0.0013780200000000, -0.0001609200000000 ] - [ -0.0003516700000000, -0.0012334100000000, -0.0001553900000000 ] - [ -0.0012648400000000, 0.0005087400000000, -0.0012102000000000 ] - [ -0.0012558000000000, 0.0005685000000000, -0.0009784000000000 ] - [ 0.0700616900000000, 0.0007150400000000, 0.0017069200000000 ] - [ -0.0009002000000000, 0.0014970500000000, 0.0021068300000000 ] - [ 0.0024634700000000, 0.0058303000000000, -0.0125448800000000 ] - [ 0.0037504800000000, -0.0131388900000000, -0.0128946600000000 ] - [ -0.0002511600000000, -0.0000366200000000, -0.0006398500000000 ] - [ 0.0001656900000000, -0.0001193100000000, -0.0002942500000000 ] - [ 0.0007535400000000, 0.0010088900000000, 0.0002242600000000 ] - [ 0.0007671700000000, -0.0014545000000000, 0.0010433000000000 ]- atom: 89 displacement: [ -0.0099998839938813, 0.0000000000000000, 0.0000481675089282 ] forces: - [ 0.0021214700000000, -0.0000790200000000, 0.0001217900000000 ] - [ 0.0012472700000000, -0.0041872800000000, 0.0042755100000000 ] - [ -0.0020591300000000, 0.0001199600000000, -0.0008323500000000 ] - [ 0.0002754700000000, 0.0000685400000000, 0.0000082100000000 ] - [ 0.0005858000000000, -0.0022815700000000, -0.0002640000000000 ] - [ 0.0000455400000000, -0.0001990200000000, -0.0001953300000000 ] - [ -0.0007205700000000, -0.0120636200000000, -0.0003099000000000 ] - [ -0.0003295200000000, 0.0006284900000000, -0.0006480800000000 ] - [ -0.0001941300000000, 0.0005313400000000, 0.0005013700000000 ] - [ -0.0002967700000000, 0.0014655100000000, -0.0000385500000000 ] - [ -0.0002063400000000, 0.0010571800000000, 0.0005129400000000 ] - [ -0.0001000900000000, -0.0001748700000000, 0.0001721900000000 ] - [ -0.0015678100000000, 0.0152009800000000, -0.0212100600000000 ] - [ -0.0011051700000000, 0.0000664500000000, -0.0008531200000000 ] - [ 0.0019116100000000, -0.0253159700000000, -0.0246087300000000 ] - [ 0.0003933900000000, 0.0005245200000000, 0.0006333300000000 ] - [ -0.0014700300000000, -0.0010770700000000, 0.0002100000000000 ] - [ 0.0120858100000000, 0.0020597800000000, -0.0185903700000000 ] - [ 0.0004774900000000, 0.0014315900000000, -0.0015278500000000 ] - [ -0.0000927000000000, 0.0001006800000000, -0.0000937900000000 ] - [ -0.0001848600000000, -0.0001502600000000, -0.0001327700000000 ] - [ -0.0003955700000000, -0.0002096600000000, -0.0004177300000000 ] - [ 0.0027621800000000, 0.0003754000000000, 0.0022157600000000 ] - [ -0.0003050500000000, 0.0001697200000000, -0.0004548700000000 ] - [ 0.0006989200000000, -0.0027791400000000, -0.0006789400000000 ] - [ 0.0001895000000000, -0.0015209800000000, -0.0005057700000000 ] - [ 0.0004978200000000, 0.0002246000000000, -0.0003323300000000 ] - [ 0.0000742200000000, 0.0012521600000000, -0.0005669600000000 ] - [ 0.0000990900000000, 0.0004722100000000, 0.0002012800000000 ] - [ -0.0003257500000000, 0.0002159300000000, 0.0002169900000000 ] - [ -0.0049982400000000, 0.0168422500000000, 0.0005908900000000 ] - [ -0.0001979600000000, -0.0005576400000000, -0.0000722100000000 ] - [ 0.0007385400000000, -0.0002362200000000, 0.0005452900000000 ] - [ 0.0007162600000000, 0.0000540100000000, 0.0001475800000000 ] - [ 0.0005203000000000, 0.0001518400000000, 0.0005140500000000 ] - [ 0.0006622100000000, 0.0000989600000000, 0.0001994700000000 ] - [ -0.0000377000000000, 0.0000388000000000, -0.0001701700000000 ] - [ -0.0001897300000000, 0.0001753400000000, -0.0001704700000000 ] - [ -0.0011384500000000, 0.0002969400000000, 0.0021247300000000 ] - [ 0.0001003000000000, -0.0000862300000000, -0.0006941800000000 ] - [ -0.1389804100000000, 0.1076970200000000, -0.0636404900000000 ] - [ 0.0009114900000000, 0.0012592000000000, -0.0000782400000000 ] - [ -0.1442167200000000, -0.0945855400000000, 0.0602257300000000 ] - [ 0.0012584600000000, 0.0013687600000000, -0.0011537300000000 ] - [ 0.0008499900000000, -0.0029726000000000, 0.0013214500000000 ] - [ -0.0010192800000000, 0.0007676200000000, -0.0005966700000000 ] - [ 0.0029265900000000, -0.0007854300000000, -0.0018721100000000 ] - [ -0.0089123700000000, -0.0009157200000000, 0.0114559800000000 ] - [ 0.0018016900000000, 0.0008310300000000, 0.0001282600000000 ] - [ -0.0007070800000000, -0.0020971200000000, -0.0006144800000000 ] - [ -0.0011139500000000, 0.0018218900000000, 0.0021381900000000 ] - [ 0.0043351900000000, 0.0067397400000000, -0.0026278600000000 ] - [ -0.2138029900000000, 0.0930306400000000, 0.1296794400000000 ] - [ 0.0011409800000000, -0.0003128600000000, -0.0015111900000000 ] - [ 0.0074247300000000, -0.0035278400000000, 0.0031953400000000 ] - [ -0.0040350900000000, -0.0020979600000000, 0.0005090900000000 ] - [ -0.0822280900000000, -0.0347748300000000, -0.0601613900000000 ] - [ 0.0011656700000000, 0.0004521700000000, 0.0007695600000000 ] - [ 0.0013359600000000, -0.0022642700000000, -0.0000248500000000 ] - [ -0.0017234900000000, 0.0083449000000000, 0.0191692800000000 ] - [ -0.0015850300000000, -0.0123234000000000, 0.0059043500000000 ] - [ 0.0069173400000000, 0.0015568900000000, 0.0047403100000000 ] - [ -0.0036330800000000, -0.0013528500000000, -0.0013553900000000 ] - [ 0.0022056200000000, -0.0002483800000000, 0.0017631500000000 ] - [ 0.0002693400000000, -0.0005701100000000, -0.0000532900000000 ] - [ -0.0002059800000000, 0.0003509100000000, -0.0001016500000000 ] - [ -0.0002060500000000, 0.0002809400000000, 0.0005832700000000 ] - [ -0.0005839200000000, 0.0000124200000000, 0.0009695300000000 ] - [ 0.0014327200000000, -0.0110451200000000, -0.0015353200000000 ] - [ -0.0001926400000000, 0.0006544900000000, 0.0009829400000000 ] - [ -0.0004910900000000, -0.0005506300000000, 0.0003319000000000 ] - [ -0.0000810600000000, -0.0004668300000000, 0.0004640400000000 ] - [ -0.0005573600000000, 0.0070734200000000, -0.0012917700000000 ] - [ 0.0009165200000000, -0.0004767800000000, 0.0005373700000000 ] - [ 0.0005042100000000, 0.0002773200000000, -0.0001125500000000 ] - [ 0.0002208400000000, 0.0015525700000000, 0.0001919700000000 ] - [ 0.0006595900000000, -0.0001413900000000, -0.0001380500000000 ] - [ 0.0000681400000000, 0.0004341300000000, 0.0001828400000000 ] - [ -0.0003042300000000, -0.0002206200000000, -0.0003111900000000 ] - [ 0.0000664600000000, -0.0005680100000000, 0.0000360100000000 ] - [ 0.0000056400000000, 0.0006337400000000, -0.0003505600000000 ] - [ -0.0002282400000000, -0.0000794800000000, -0.0001716900000000 ] - [ -0.0005207300000000, 0.0001620700000000, -0.0004552600000000 ] - [ -0.0003277700000000, 0.0007151500000000, -0.0007785500000000 ] - [ -0.0004332700000000, -0.0003731900000000, 0.0004183300000000 ] - [ -0.0007901700000000, -0.0006047100000000, 0.0006409200000000 ] - [ 0.0000839700000000, -0.0012881000000000, -0.0016945400000000 ] - [ -0.0008517200000000, -0.0012725100000000, 0.0001509200000000 ] - [ 0.6399024600000000, -0.0701020900000000, -0.0485979800000000 ] - [ -0.0032654100000000, -0.0024773100000000, 0.0000594700000000 ] - [ -0.0007135200000000, 0.0103390200000000, -0.0013732200000000 ] - [ -0.0008547900000000, 0.0021962000000000, -0.0116651100000000 ] - [ -0.0011324500000000, -0.0005291700000000, -0.0002765600000000 ] - [ 0.0001686300000000, -0.0006739200000000, -0.0002850600000000 ] - [ 0.0010759600000000, 0.0013913700000000, 0.0007697200000000 ] - [ 0.0010834500000000, 0.0013269000000000, 0.0005479700000000 ] - [ -0.0697509300000000, -0.0004683500000000, -0.0024936600000000 ] - [ 0.0010656100000000, -0.0012450000000000, -0.0028761000000000 ] - [ -0.0023115600000000, -0.0060565000000000, 0.0117753600000000 ] - [ -0.0035700500000000, 0.0128945700000000, 0.0121350300000000 ] - [ 0.0004223100000000, 0.0002885600000000, -0.0001261100000000 ] - [ 0.0000046500000000, 0.0003699900000000, -0.0004718900000000 ] - [ -0.0005792400000000, -0.0012616600000000, -0.0009883800000000 ] - [ -0.0006021200000000, 0.0012020100000000, -0.0018156900000000 ]- atom: 89 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0011804300000000, -0.0006612700000000, 0.0021291200000000 ] - [ 0.0024905700000000, -0.0029994000000000, -0.0023008000000000 ] - [ 0.0001308400000000, 0.0012677700000000, -0.0008448700000000 ] - [ -0.0003875500000000, 0.0002554200000000, -0.0000545600000000 ] - [ -0.0000766800000000, 0.0040139700000000, -0.0002477300000000 ] - [ 0.0002098400000000, 0.0003651100000000, -0.0004169400000000 ] - [ 0.0033514400000000, 0.0060687100000000, 0.0042398900000000 ] - [ -0.0004470600000000, -0.0008392000000000, -0.0015480500000000 ] - [ -0.0009547300000000, 0.0010387500000000, 0.0018613300000000 ] - [ -0.0003608400000000, 0.0031319700000000, -0.0002471300000000 ] - [ -0.0004336200000000, 0.0036688200000000, 0.0005724600000000 ] - [ -0.0003112000000000, 0.0022108300000000, 0.0003343800000000 ] - [ -0.0052980500000000, -0.0272879700000000, 0.0129059200000000 ] - [ -0.0007746400000000, -0.0065299900000000, 0.0032569000000000 ] - [ 0.0094059500000000, 0.0291110200000000, 0.0185176100000000 ] - [ 0.0010242600000000, -0.0015945800000000, -0.0008321800000000 ] - [ 0.0001490200000000, -0.0018118700000000, 0.0027039300000000 ] - [ 0.0093881700000000, 0.0046504800000000, -0.0241168700000000 ] - [ -0.0012136400000000, 0.0019842100000000, -0.0007464300000000 ] - [ -0.0003740700000000, 0.0001319800000000, 0.0008187900000000 ] - [ -0.0002140600000000, 0.0005176200000000, -0.0004148200000000 ] - [ 0.0002819100000000, 0.0006925200000000, 0.0003022400000000 ] - [ 0.0002842900000000, 0.0031957200000000, 0.0004116800000000 ] - [ -0.0003521800000000, 0.0003834300000000, -0.0004202000000000 ] - [ 0.0005915500000000, 0.0019150600000000, -0.0014653000000000 ] - [ -0.0000273400000000, -0.0000976500000000, -0.0002690000000000 ] - [ 0.0000600600000000, 0.0038161000000000, -0.0004828300000000 ] - [ 0.0001671000000000, 0.0029159500000000, -0.0002510600000000 ] - [ 0.0002168000000000, 0.0033060800000000, -0.0001730900000000 ] - [ 0.0002552400000000, 0.0024415300000000, 0.0002739500000000 ] - [ -0.0051108200000000, 0.0149998900000000, -0.0021053600000000 ] - [ 0.0002811800000000, -0.0014947000000000, 0.0003591900000000 ] - [ 0.0005908900000000, 0.0017751800000000, -0.0011392700000000 ] - [ 0.0005861500000000, 0.0018796700000000, -0.0010326100000000 ] - [ 0.0009006300000000, 0.0025854300000000, 0.0019304400000000 ] - [ 0.0007880400000000, 0.0017953500000000, 0.0016762100000000 ] - [ 0.0003271700000000, 0.0008409600000000, -0.0011374600000000 ] - [ 0.0002435700000000, 0.0008583600000000, -0.0006938100000000 ] - [ -0.0017661000000000, 0.0016965300000000, 0.0028951700000000 ] - [ 0.0000456700000000, 0.0003224000000000, -0.0006348400000000 ] - [ -0.1076446900000000, 0.2063786800000000, -0.0885669300000000 ] - [ -0.0017076100000000, 0.0055660100000000, -0.0025236600000000 ] - [ 0.1040717700000000, 0.1784155200000000, -0.0679251300000000 ] - [ 0.0006266900000000, 0.0056790400000000, -0.0013233200000000 ] - [ 0.0006305700000000, -0.0035626700000000, 0.0002747400000000 ] - [ 0.0003242000000000, -0.0016593200000000, 0.0008646500000000 ] - [ 0.0010905300000000, 0.0036919000000000, -0.0035324300000000 ] - [ -0.0070380500000000, -0.0014629300000000, 0.0145439000000000 ] - [ -0.0001640200000000, -0.0043540200000000, 0.0010993300000000 ] - [ 0.0004592100000000, -0.0027193900000000, -0.0010513800000000 ] - [ 0.0009229400000000, 0.0016815300000000, -0.0023614800000000 ] - [ -0.0019422200000000, 0.0052484200000000, 0.0025811300000000 ] - [ -0.0910886000000000, 0.1145118500000000, 0.0764971900000000 ] - [ -0.0009778700000000, 0.0054443100000000, 0.0027593500000000 ] - [ -0.0041977500000000, 0.0027992900000000, 0.0044371100000000 ] - [ -0.0000380500000000, 0.0040326800000000, -0.0061894500000000 ] - [ 0.0346368200000000, 0.0969661300000000, 0.0494729600000000 ] - [ 0.0007243200000000, 0.0063186900000000, -0.0008025200000000 ] - [ -0.0011724100000000, 0.0007908100000000, 0.0029170100000000 ] - [ -0.0051958800000000, -0.0097024200000000, -0.0181932400000000 ] - [ -0.0007589300000000, 0.0185788700000000, -0.0026582600000000 ] - [ -0.0005108900000000, 0.0081205200000000, -0.0037623700000000 ] - [ 0.0025086100000000, -0.0022392300000000, 0.0053823300000000 ] - [ -0.0021723000000000, -0.0014990000000000, -0.0034777000000000 ] - [ 0.0008538100000000, -0.0043385800000000, 0.0007992400000000 ] - [ 0.0004623700000000, -0.0030052400000000, 0.0008249200000000 ] - [ -0.0013449300000000, -0.0040494200000000, 0.0010911200000000 ] - [ -0.0011480600000000, -0.0031464000000000, 0.0011811000000000 ] - [ 0.0023719000000000, -0.0097385000000000, 0.0003103900000000 ] - [ -0.0004473800000000, 0.0005729200000000, 0.0004610600000000 ] - [ -0.0007347400000000, -0.0034128900000000, 0.0009309900000000 ] - [ -0.0009826000000000, -0.0027924900000000, 0.0001883200000000 ] - [ -0.0012860100000000, -0.0054153500000000, -0.0027909800000000 ] - [ 0.0008822400000000, -0.0006651200000000, 0.0010926300000000 ] - [ 0.0004106200000000, -0.0013465200000000, 0.0004910700000000 ] - [ 0.0003799700000000, -0.0038323600000000, -0.0000600400000000 ] - [ 0.0009067300000000, -0.0030211000000000, -0.0007653500000000 ] - [ 0.0006853800000000, -0.0021164100000000, -0.0007585600000000 ] - [ -0.0001420500000000, -0.0035039500000000, 0.0001618600000000 ] - [ -0.0005603900000000, -0.0029695000000000, 0.0012967400000000 ] - [ -0.0004774900000000, -0.0032601000000000, -0.0000334700000000 ] - [ -0.0003248800000000, -0.0026050000000000, -0.0000330400000000 ] - [ -0.0001765200000000, -0.0022742600000000, -0.0015837500000000 ] - [ 0.0001816500000000, -0.0035686200000000, 0.0001198700000000 ] - [ 0.0002430300000000, -0.0038580400000000, -0.0000407100000000 ] - [ 0.0001924000000000, -0.0040828900000000, 0.0005573200000000 ] - [ -0.0002724100000000, -0.0037628100000000, -0.0030823400000000 ] - [ -0.0011687000000000, -0.0039628500000000, 0.0002214700000000 ] - [ 0.0609263800000000, -0.6076143300000000, 0.0324923200000000 ] - [ 0.0014563900000000, -0.0118208600000000, -0.0000761200000000 ] - [ 0.0010258400000000, -0.0061695700000000, -0.0143892500000000 ] - [ 0.0094049900000000, -0.0061974200000000, 0.0158918100000000 ] - [ -0.0005003200000000, 0.0061518800000000, -0.0006868500000000 ] - [ -0.0003533700000000, 0.0045389800000000, -0.0005289400000000 ] - [ 0.0003194800000000, 0.0070979500000000, 0.0023733200000000 ] - [ 0.0003634400000000, 0.0071003900000000, -0.0013410500000000 ] - [ -0.0027528000000000, -0.0327304600000000, 0.0013024100000000 ] - [ -0.0004509800000000, -0.0085652100000000, -0.0003026500000000 ] - [ 0.0027068300000000, 0.0057365700000000, -0.0163382500000000 ] - [ -0.0047030100000000, 0.0057747500000000, 0.0110552000000000 ] - [ -0.0000062400000000, 0.0055419600000000, -0.0006710200000000 ] - [ 0.0000734200000000, 0.0041381000000000, -0.0003343700000000 ] - [ 0.0006238800000000, 0.0046299300000000, 0.0015034500000000 ] - [ -0.0005116000000000, 0.0049973700000000, -0.0026056600000000 ]- atom: 89 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0007938300000000, 0.0003292400000000, -0.0025513100000000 ] - [ -0.0028793800000000, 0.0026802900000000, 0.0018978700000000 ] - [ -0.0005238200000000, -0.0009275600000000, 0.0004113200000000 ] - [ -0.0000006200000000, 0.0000868700000000, -0.0003699200000000 ] - [ 0.0004343300000000, -0.0054729400000000, -0.0004362900000000 ] - [ 0.0001480600000000, -0.0018414500000000, -0.0002682600000000 ] - [ -0.0030382000000000, -0.0046154600000000, -0.0049861900000000 ] - [ 0.0008027300000000, 0.0023229400000000, 0.0008607100000000 ] - [ 0.0007524100000000, -0.0007397400000000, -0.0014370600000000 ] - [ 0.0001551100000000, -0.0028469700000000, 0.0006866200000000 ] - [ 0.0002262000000000, -0.0039393900000000, -0.0001381800000000 ] - [ 0.0001027800000000, -0.0024952100000000, 0.0000970200000000 ] - [ 0.0068087400000000, 0.0268539800000000, -0.0121315400000000 ] - [ 0.0022284700000000, 0.0061204600000000, -0.0023787900000000 ] - [ -0.0077731400000000, -0.0284859800000000, -0.0174951900000000 ] - [ 0.0004366900000000, 0.0019877800000000, 0.0017184200000000 ] - [ -0.0003204100000000, 0.0019233400000000, -0.0030864400000000 ] - [ -0.0095001600000000, -0.0045058300000000, 0.0237358600000000 ] - [ 0.0010246200000000, -0.0020749000000000, 0.0003548400000000 ] - [ 0.0001957600000000, -0.0002358300000000, -0.0011982800000000 ] - [ -0.0001785000000000, -0.0008630000000000, -0.0000147600000000 ] - [ -0.0006685300000000, -0.0010364900000000, -0.0007235300000000 ] - [ -0.0006726900000000, -0.0028749800000000, -0.0008392500000000 ] - [ -0.0000387100000000, -0.0000367300000000, -0.0000069500000000 ] - [ -0.0002392500000000, -0.0033929000000000, 0.0007880700000000 ] - [ 0.0003873700000000, -0.0013625100000000, -0.0004196000000000 ] - [ 0.0002981400000000, -0.0023462900000000, -0.0002015300000000 ] - [ 0.0001911800000000, -0.0014485900000000, -0.0004316300000000 ] - [ -0.0004252000000000, -0.0030250100000000, 0.0006050600000000 ] - [ -0.0004651600000000, -0.0021696400000000, 0.0001614800000000 ] - [ 0.0049886500000000, -0.0153418500000000, 0.0025922600000000 ] - [ -0.0004919600000000, 0.0012297200000000, 0.0000745600000000 ] - [ 0.0008705200000000, -0.0021781200000000, 0.0020314000000000 ] - [ 0.0008749800000000, -0.0022839700000000, 0.0019288800000000 ] - [ 0.0005598700000000, -0.0021842000000000, -0.0010346200000000 ] - [ 0.0006733200000000, -0.0013920500000000, -0.0007834200000000 ] - [ -0.0005033900000000, -0.0007388600000000, 0.0007529700000000 ] - [ -0.0004212000000000, -0.0007562500000000, 0.0003148600000000 ] - [ 0.0016030900000000, -0.0018009700000000, -0.0033005700000000 ] - [ -0.0002239200000000, -0.0004219000000000, 0.0002559200000000 ] - [ 0.1144265400000000, -0.2120366400000000, 0.0940902200000000 ] - [ 0.0014088100000000, -0.0046556600000000, 0.0022354900000000 ] - [ -0.0982496300000000, -0.1723951000000000, 0.0650877400000000 ] - [ -0.0015086600000000, -0.0052768400000000, 0.0025802700000000 ] - [ -0.0012371500000000, 0.0042059200000000, 0.0005216300000000 ] - [ -0.0009455700000000, 0.0023226200000000, -0.0000746300000000 ] - [ -0.0017285400000000, -0.0043863300000000, 0.0043313100000000 ] - [ 0.0063712100000000, 0.0007783100000000, -0.0136914100000000 ] - [ 0.0009273300000000, 0.0030513300000000, -0.0009686700000000 ] - [ 0.0003055700000000, 0.0014157400000000, 0.0011647200000000 ] - [ -0.0001611200000000, -0.0003897100000000, 0.0024780100000000 ] - [ 0.0027685400000000, -0.0039784700000000, -0.0024867300000000 ] - [ 0.0890706700000000, -0.1138069300000000, -0.0744963700000000 ] - [ 0.0012341100000000, -0.0046326100000000, -0.0026101200000000 ] - [ 0.0044970900000000, -0.0035531200000000, -0.0043146100000000 ] - [ 0.0002934600000000, -0.0048011100000000, 0.0063320000000000 ] - [ -0.0359174400000000, -0.0963450600000000, -0.0516793300000000 ] - [ -0.0009955700000000, -0.0055188100000000, 0.0001277900000000 ] - [ 0.0009084600000000, -0.0015770300000000, -0.0035967300000000 ] - [ 0.0048625100000000, 0.0089201200000000, 0.0174270500000000 ] - [ -0.0001110200000000, -0.0189604200000000, 0.0039280800000000 ] - [ -0.0004047000000000, -0.0084352100000000, 0.0050414000000000 ] - [ -0.0027756400000000, 0.0013370100000000, -0.0056257200000000 ] - [ 0.0018637600000000, 0.0006070300000000, 0.0031778400000000 ] - [ -0.0011533900000000, 0.0052542900000000, -0.0010866800000000 ] - [ -0.0007649100000000, 0.0039276800000000, -0.0011105100000000 ] - [ 0.0004588300000000, 0.0044380500000000, 0.0001620200000000 ] - [ 0.0002598000000000, 0.0035331300000000, 0.0000706500000000 ] - [ -0.0030223700000000, 0.0104074900000000, 0.0004826400000000 ] - [ -0.0001667500000000, 0.0000667400000000, 0.0003371900000000 ] - [ 0.0001180900000000, 0.0027613600000000, -0.0001306700000000 ] - [ 0.0003654300000000, 0.0021461400000000, 0.0006031300000000 ] - [ 0.0020633900000000, 0.0041098000000000, 0.0029333900000000 ] - [ -0.0001176100000000, -0.0006583200000000, -0.0009779100000000 ] - [ 0.0003542700000000, 0.0026631500000000, -0.0003715300000000 ] - [ 0.0003820000000000, 0.0051389900000000, 0.0001741400000000 ] - [ -0.0006526000000000, 0.0038308700000000, 0.0009195300000000 ] - [ -0.0004303300000000, 0.0029253400000000, 0.0009139200000000 ] - [ 0.0003935200000000, 0.0026996400000000, -0.0000008900000000 ] - [ 0.0008159200000000, 0.0021601000000000, -0.0011476000000000 ] - [ 0.0002031900000000, 0.0040681400000000, -0.0006461800000000 ] - [ 0.0000485400000000, 0.0034114000000000, -0.0006532200000000 ] - [ -0.0000972700000000, 0.0014617500000000, 0.0009095700000000 ] - [ -0.0004584700000000, 0.0027632500000000, -0.0008133000000000 ] - [ -0.0011303600000000, 0.0034714400000000, 0.0012979800000000 ] - [ -0.0010783800000000, 0.0036948800000000, 0.0006889500000000 ] - [ -0.0000340300000000, 0.0028386100000000, 0.0028121700000000 ] - [ 0.0008665100000000, 0.0030322200000000, -0.0005179300000000 ] - [ -0.0718989200000000, 0.6068256000000000, -0.0350779900000000 ] - [ -0.0016105400000000, 0.0098478600000000, -0.0003551200000000 ] - [ -0.0012515100000000, 0.0080613300000000, 0.0139534400000000 ] - [ -0.0094751900000000, 0.0080338200000000, -0.0162238300000000 ] - [ 0.0003533000000000, -0.0081216900000000, 0.0002540400000000 ] - [ 0.0002095200000000, -0.0065073500000000, 0.0001021100000000 ] - [ -0.0004635200000000, -0.0051332300000000, -0.0028191900000000 ] - [ -0.0005073900000000, -0.0051307500000000, 0.0009305600000000 ] - [ 0.0029039000000000, 0.0329735400000000, -0.0020624600000000 ] - [ 0.0006152500000000, 0.0087892700000000, -0.0004595200000000 ] - [ -0.0024969400000000, -0.0060052300000000, 0.0155665600000000 ] - [ 0.0048286300000000, -0.0060493700000000, -0.0117543100000000 ] - [ 0.0001698600000000, -0.0053139000000000, -0.0000870600000000 ] - [ 0.0000910500000000, -0.0039115900000000, -0.0004219000000000 ] - [ -0.0004650000000000, -0.0048666500000000, -0.0022764200000000 ] - [ 0.0006788900000000, -0.0052258900000000, 0.0018682200000000 ]- atom: 89 displacement: [ -0.0049439770564842, 0.0000000000000000, 0.0086923581877968 ] forces: - [ -0.0010527000000000, 0.0016612900000000, 0.0027135700000000 ] - [ -0.0026147300000000, -0.0054016400000000, 0.0045513600000000 ] - [ -0.0021420300000000, -0.0001095200000000, -0.0019069600000000 ] - [ 0.0003276300000000, 0.0000280100000000, 0.0010019900000000 ] - [ 0.0004477100000000, -0.0011610700000000, -0.0005013200000000 ] - [ 0.0001244800000000, -0.0016256200000000, 0.0000600200000000 ] - [ 0.0014693300000000, 0.0137223900000000, -0.0012005100000000 ] - [ 0.0001275700000000, 0.0003508300000000, 0.0006440200000000 ] - [ 0.0006376600000000, 0.0027711800000000, -0.0006969200000000 ] - [ -0.0006851900000000, -0.0028081600000000, 0.0004596400000000 ] - [ -0.0002434100000000, 0.0009559800000000, 0.0005236500000000 ] - [ 0.0000354800000000, -0.0004885000000000, 0.0002360600000000 ] - [ 0.0126070200000000, -0.0004424400000000, 0.0291705100000000 ] - [ 0.0004576200000000, -0.0012409000000000, 0.0030987100000000 ] - [ 0.0055488900000000, -0.0231078900000000, -0.0314955500000000 ] - [ 0.0010390700000000, 0.0021363500000000, 0.0036662000000000 ] - [ 0.0003049900000000, -0.0002766300000000, 0.0032054900000000 ] - [ 0.0057580600000000, -0.0073107500000000, 0.0041966300000000 ] - [ 0.0011750900000000, 0.0008284600000000, -0.0043479400000000 ] - [ -0.0004196700000000, 0.0006019800000000, 0.0017175900000000 ] - [ -0.0001612500000000, -0.0003262500000000, -0.0001102300000000 ] - [ -0.0003875400000000, -0.0001891700000000, -0.0003846600000000 ] - [ -0.0017258000000000, 0.0003578800000000, -0.0028910300000000 ] - [ 0.0001369500000000, 0.0000845800000000, 0.0006580300000000 ] - [ 0.0014109400000000, -0.0039593500000000, -0.0015383500000000 ] - [ 0.0000616000000000, 0.0006886400000000, 0.0000631100000000 ] - [ 0.0004386100000000, -0.0002930000000000, -0.0003460700000000 ] - [ 0.0000749800000000, 0.0013468000000000, -0.0005755800000000 ] - [ -0.0002631700000000, -0.0015200500000000, 0.0001694600000000 ] - [ -0.0001526900000000, 0.0011598300000000, 0.0002903400000000 ] - [ -0.0006322500000000, -0.0071976500000000, 0.0003105600000000 ] - [ -0.0000478800000000, 0.0004130400000000, 0.0010238400000000 ] - [ 0.0007312300000000, -0.0000524500000000, 0.0003277700000000 ] - [ 0.0007606800000000, -0.0005693600000000, 0.0007507600000000 ] - [ 0.0007722200000000, -0.0003528700000000, -0.0008958600000000 ] - [ 0.0007835600000000, 0.0005923600000000, 0.0012758500000000 ] - [ -0.0002357100000000, -0.0000748100000000, 0.0002644500000000 ] - [ -0.0000973700000000, 0.0001459800000000, -0.0003769300000000 ] - [ 0.0002298000000000, -0.0003903300000000, -0.0023110000000000 ] - [ -0.0004576800000000, 0.0000339200000000, 0.0010472700000000 ] - [ -0.0112612100000000, -0.0243439000000000, 0.0687841400000000 ] - [ -0.0003824500000000, 0.0013519700000000, -0.0046097300000000 ] - [ -0.1188203100000000, -0.0978474400000000, 0.1170493200000000 ] - [ 0.0012225000000000, 0.0007420600000000, -0.0057292800000000 ] - [ 0.0007826500000000, -0.0034509100000000, 0.0035668900000000 ] - [ -0.0008002200000000, 0.0011235100000000, -0.0023731700000000 ] - [ -0.0001127800000000, -0.0031332800000000, -0.0000832200000000 ] - [ -0.0032525300000000, 0.0036872600000000, -0.0017052400000000 ] - [ 0.0016785100000000, 0.0019312600000000, 0.0011960200000000 ] - [ -0.0006711100000000, -0.0027366100000000, -0.0016421400000000 ] - [ 0.0005541700000000, -0.0008734400000000, -0.0033492600000000 ] - [ 0.0038076200000000, 0.0075852800000000, 0.0012000800000000 ] - [ -0.2175598500000000, 0.1115339500000000, 0.2073303200000000 ] - [ 0.0025565800000000, -0.0008023500000000, -0.0057001700000000 ] - [ 0.0019700700000000, 0.0008776500000000, 0.0048316400000000 ] - [ -0.0039092200000000, -0.0047340300000000, -0.0035755100000000 ] - [ 0.0059325700000000, 0.0227125600000000, 0.1048321600000000 ] - [ -0.0009297200000000, 0.0000591000000000, -0.0056142900000000 ] - [ -0.0022959500000000, 0.0007756000000000, -0.0036863800000000 ] - [ -0.0022535900000000, 0.0087236400000000, 0.0240872700000000 ] - [ -0.0051373300000000, 0.0079166500000000, -0.0077061600000000 ] - [ 0.0049704300000000, -0.0029991900000000, 0.0014744100000000 ] - [ -0.0029217000000000, 0.0039971400000000, 0.0017397000000000 ] - [ 0.0015696100000000, -0.0036089900000000, -0.0004442500000000 ] - [ 0.0001259100000000, -0.0004936200000000, 0.0004642200000000 ] - [ -0.0002453700000000, 0.0008855400000000, -0.0007582700000000 ] - [ -0.0004970600000000, 0.0003495400000000, 0.0017427200000000 ] - [ -0.0004224600000000, 0.0002530200000000, -0.0002493300000000 ] - [ 0.0005825500000000, 0.0055456300000000, 0.0023158900000000 ] - [ -0.0004772200000000, -0.0001508200000000, -0.0011826900000000 ] - [ -0.0001948500000000, 0.0008619100000000, 0.0003264600000000 ] - [ -0.0002257700000000, -0.0010248400000000, 0.0003760900000000 ] - [ 0.0004093200000000, -0.0085246900000000, 0.0023895700000000 ] - [ 0.0003132500000000, 0.0000126600000000, -0.0014038700000000 ] - [ 0.0004086800000000, 0.0013300900000000, -0.0004479600000000 ] - [ 0.0003173000000000, 0.0009708000000000, 0.0004630100000000 ] - [ 0.0001191000000000, 0.0008032400000000, 0.0007783900000000 ] - [ 0.0003043900000000, 0.0002229200000000, -0.0006438000000000 ] - [ 0.0001421900000000, -0.0010537100000000, 0.0003858000000000 ] - [ 0.0005918000000000, 0.0003313800000000, -0.0005362300000000 ] - [ 0.0001826100000000, 0.0010470100000000, 0.0004777800000000 ] - [ -0.0004182900000000, 0.0000740400000000, -0.0011128200000000 ] - [ -0.0000422900000000, -0.0013584000000000, -0.0009849500000000 ] - [ -0.0005088700000000, 0.0019233900000000, 0.0001692300000000 ] - [ -0.0003139000000000, -0.0007069200000000, 0.0002521900000000 ] - [ -0.0007696800000000, 0.0008383200000000, 0.0009051600000000 ] - [ -0.0007303300000000, -0.0021639100000000, 0.0007298400000000 ] - [ 0.0004529600000000, 0.0018005100000000, -0.0007611300000000 ] - [ 0.3585651800000000, -0.0118094100000000, -0.5187351100000001 ] - [ -0.0018483500000000, -0.0015882400000000, 0.0101659100000000 ] - [ 0.0094987100000000, -0.0083252900000000, -0.0017935400000000 ] - [ 0.0005562800000000, 0.0138334600000000, -0.0069767100000000 ] - [ -0.0005622700000000, -0.0011552000000000, -0.0020615000000000 ] - [ 0.0001005100000000, -0.0010914200000000, 0.0012655900000000 ] - [ -0.0001741200000000, 0.0021510900000000, 0.0002272600000000 ] - [ -0.0003727100000000, -0.0011227400000000, 0.0001065500000000 ] - [ -0.0349726500000000, 0.0018936000000000, -0.0264977700000000 ] - [ 0.0008356000000000, 0.0001244500000000, 0.0104144000000000 ] - [ -0.0052625400000000, -0.0103618300000000, 0.0121326800000000 ] - [ -0.0053061600000000, 0.0184631000000000, 0.0166353500000000 ] - [ 0.0002296500000000, -0.0001278000000000, -0.0015105400000000 ] - [ 0.0000665900000000, -0.0001179400000000, 0.0007006000000000 ] - [ 0.0005063300000000, 0.0015663000000000, 0.0004389700000000 ] - [ 0.0001570900000000, -0.0015738200000000, 0.0000714100000000 ]- atom: 89 displacement: [ 0.0049439770564842, 0.0000000000000000, -0.0086923581877968 ] forces: - [ 0.0006438400000000, -0.0020191300000000, -0.0031745300000000 ] - [ 0.0021777500000000, 0.0050205800000000, -0.0049667400000000 ] - [ 0.0017338700000000, 0.0004452600000000, 0.0014637300000000 ] - [ -0.0007392300000000, 0.0003188200000000, -0.0014519100000000 ] - [ -0.0000874000000000, -0.0002980400000000, -0.0001815900000000 ] - [ 0.0002376000000000, 0.0001698900000000, -0.0007406400000000 ] - [ -0.0011098900000000, -0.0121932700000000, 0.0005221100000000 ] - [ 0.0002352300000000, 0.0011066600000000, -0.0013235000000000 ] - [ -0.0008646800000000, -0.0024848900000000, 0.0011347200000000 ] - [ 0.0004612700000000, 0.0030759500000000, -0.0000345700000000 ] - [ 0.0000293700000000, -0.0012710600000000, -0.0000960000000000 ] - [ -0.0002513300000000, 0.0001822100000000, 0.0001938800000000 ] - [ -0.0114776100000000, 0.0001483100000000, -0.0284757900000000 ] - [ 0.0009973100000000, 0.0008748700000000, -0.0022390700000000 ] - [ -0.0040691600000000, 0.0235018100000000, 0.0323081500000000 ] - [ 0.0004207700000000, -0.0017381100000000, -0.0027791600000000 ] - [ -0.0004824000000000, 0.0003984600000000, -0.0035782800000000 ] - [ -0.0059005200000000, 0.0073595000000000, -0.0045050400000000 ] - [ -0.0013667100000000, -0.0009498200000000, 0.0039943800000000 ] - [ 0.0002310300000000, -0.0007100200000000, -0.0020869000000000 ] - [ -0.0002481400000000, -0.0000182200000000, -0.0003370300000000 ] - [ -0.0000219900000000, -0.0001553700000000, -0.0000645900000000 ] - [ 0.0013186200000000, -0.0000080600000000, 0.0024448900000000 ] - [ -0.0005453600000000, 0.0002571900000000, -0.0011038200000000 ] - [ -0.0010332700000000, 0.0024665000000000, 0.0008431700000000 ] - [ 0.0002993100000000, -0.0021568100000000, -0.0007392400000000 ] - [ -0.0000753500000000, 0.0017471600000000, -0.0003356500000000 ] - [ 0.0002883300000000, 0.0001082800000000, -0.0001052200000000 ] - [ 0.0000478700000000, 0.0018245500000000, 0.0002610100000000 ] - [ -0.0000624000000000, -0.0008522100000000, 0.0001379400000000 ] - [ 0.0003984500000000, 0.0069696900000000, 0.0001141000000000 ] - [ -0.0001668400000000, -0.0007258600000000, -0.0005926000000000 ] - [ 0.0007285700000000, -0.0003385400000000, 0.0005584400000000 ] - [ 0.0006992600000000, 0.0001779200000000, 0.0001342800000000 ] - [ 0.0006876600000000, 0.0007367500000000, 0.0017710600000000 ] - [ 0.0006761300000000, -0.0002067300000000, -0.0003936600000000 ] - [ 0.0000440100000000, 0.0001830000000000, -0.0006272000000000 ] - [ -0.0000941700000000, -0.0000381800000000, 0.0000116800000000 ] - [ -0.0004258500000000, 0.0002809300000000, 0.0019525400000000 ] - [ 0.0002649200000000, -0.0001453000000000, -0.0014093200000000 ] - [ 0.0102871100000000, 0.0263146100000000, -0.0700709000000000 ] - [ 0.0000924100000000, -0.0004772400000000, 0.0043696600000000 ] - [ 0.1224480100000000, 0.1041771200000000, -0.1175119000000000 ] - [ -0.0021177800000000, -0.0003581900000000, 0.0069921700000000 ] - [ -0.0013999700000000, 0.0041444200000000, -0.0027957300000000 ] - [ 0.0001871400000000, -0.0004558600000000, 0.0031526700000000 ] - [ -0.0005438300000000, 0.0024825900000000, 0.0008585800000000 ] - [ 0.0026216400000000, -0.0043279900000000, 0.0024869600000000 ] - [ -0.0008729700000000, -0.0031882300000000, -0.0010512800000000 ] - [ 0.0014840500000000, 0.0014762800000000, 0.0018041000000000 ] - [ 0.0002575200000000, 0.0021507800000000, 0.0035030100000000 ] - [ -0.0029503300000000, -0.0062591100000000, -0.0010317900000000 ] - [ 0.2046833400000000, -0.1022771900000000, -0.1981269900000000 ] - [ -0.0022471100000000, 0.0015704400000000, 0.0058277000000000 ] - [ -0.0016678100000000, -0.0016500700000000, -0.0047571400000000 ] - [ 0.0041916800000000, 0.0039151200000000, 0.0036980400000000 ] - [ -0.0078421800000000, -0.0232270100000000, -0.1069266700000000 ] - [ 0.0006004900000000, 0.0006623600000000, 0.0049539400000000 ] - [ 0.0019695100000000, -0.0015187500000000, 0.0029997500000000 ] - [ 0.0019018900000000, -0.0094420200000000, -0.0246988500000000 ] - [ 0.0042936800000000, -0.0083394800000000, 0.0089421800000000 ] - [ -0.0058769500000000, 0.0025946500000000, -0.0001671900000000 ] - [ 0.0026369500000000, -0.0048807800000000, -0.0020089600000000 ] - [ -0.0018692200000000, 0.0027307300000000, 0.0002168500000000 ] - [ -0.0004168000000000, 0.0013845700000000, -0.0007090200000000 ] - [ -0.0000428100000000, -0.0000036400000000, 0.0005146200000000 ] - [ -0.0003983500000000, 0.0000587000000000, -0.0004808800000000 ] - [ -0.0004721500000000, 0.0001556900000000, 0.0015102200000000 ] - [ -0.0011827200000000, -0.0049523100000000, -0.0015414700000000 ] - [ -0.0001361100000000, 0.0008310200000000, 0.0019515100000000 ] - [ -0.0004188900000000, -0.0015307800000000, 0.0004457000000000 ] - [ -0.0003862700000000, 0.0003536800000000, 0.0003976500000000 ] - [ 0.0003936800000000, 0.0072061900000000, -0.0022354800000000 ] - [ 0.0004944300000000, -0.0012726300000000, 0.0015583500000000 ] - [ 0.0003993500000000, -0.0000633800000000, 0.0006024200000000 ] - [ 0.0004915700000000, 0.0002993900000000, -0.0003071200000000 ] - [ 0.0002042000000000, -0.0000263900000000, -0.0006658900000000 ] - [ 0.0000199000000000, 0.0005527000000000, 0.0007546900000000 ] - [ 0.0001852700000000, 0.0002820400000000, -0.0002795300000000 ] - [ -0.0002644700000000, -0.0010975300000000, 0.0006470800000000 ] - [ -0.0005117100000000, -0.0003076600000000, -0.0011525300000000 ] - [ 0.0000896400000000, 0.0006649200000000, 0.0004408400000000 ] - [ -0.0002870600000000, 0.0006317900000000, 0.0003092100000000 ] - [ 0.0001781900000000, -0.0026432100000000, -0.0008356700000000 ] - [ -0.0005833300000000, 0.0003102100000000, 0.0010072100000000 ] - [ -0.0001298100000000, -0.0012309700000000, 0.0003604500000000 ] - [ 0.0004465200000000, 0.0012957600000000, -0.0009801100000000 ] - [ -0.0007367000000000, -0.0026547400000000, 0.0005239300000000 ] - [ -0.3475051400000000, -0.0046602500000000, 0.5134775900000000 ] - [ 0.0016788500000000, -0.0003084500000000, -0.0106107000000000 ] - [ -0.0097133600000000, 0.0102517000000000, 0.0014354200000000 ] - [ -0.0006763400000000, -0.0119335000000000, 0.0064795500000000 ] - [ 0.0003824500000000, -0.0007549400000000, 0.0016254800000000 ] - [ -0.0002843600000000, -0.0008164900000000, -0.0017016300000000 ] - [ -0.0000098100000000, -0.0002594500000000, -0.0006568000000000 ] - [ 0.0001870600000000, 0.0030015300000000, -0.0005539400000000 ] - [ 0.0352043500000000, -0.0015510100000000, 0.0257646900000000 ] - [ -0.0006648200000000, 0.0001472600000000, -0.0111629200000000 ] - [ 0.0054606300000000, 0.0102019900000000, -0.0129040800000000 ] - [ 0.0054141100000000, -0.0186569100000000, -0.0174225800000000 ] - [ -0.0000591500000000, 0.0003793100000000, 0.0007429500000000 ] - [ 0.0001039800000000, 0.0003689900000000, -0.0014659300000000 ] - [ -0.0003327600000000, -0.0018237600000000, -0.0011970600000000 ] - [ 0.0000125900000000, 0.0013087000000000, -0.0008484900000000 ]- atom: 97 displacement: [ 0.0099998839938813, 0.0000000000000000, -0.0000481675089282 ] forces: - [ 0.0009702800000000, 0.0001515200000000, 0.0005613100000000 ] - [ 0.0022578500000000, -0.0021869700000000, 0.0031899600000000 ] - [ -0.0007830600000000, 0.0001570300000000, -0.0001795100000000 ] - [ -0.0000680500000000, 0.0001304700000000, -0.0002611000000000 ] - [ 0.0002929500000000, -0.0013503600000000, -0.0002827800000000 ] - [ 0.0001271700000000, -0.0005070400000000, -0.0003549300000000 ] - [ 0.0012043500000000, -0.0019473700000000, -0.0011300300000000 ] - [ -0.0001036800000000, 0.0010115900000000, -0.0001571000000000 ] - [ 0.0003632100000000, 0.0015051400000000, 0.0002167800000000 ] - [ 0.0000397400000000, 0.0003289400000000, 0.0003186800000000 ] - [ -0.0001814400000000, 0.0001728600000000, 0.0003021400000000 ] - [ -0.0000977600000000, -0.0002167900000000, 0.0001800300000000 ] - [ 0.0023445000000000, 0.0024054700000000, -0.0038324700000000 ] - [ -0.0004459600000000, 0.0008724800000000, -0.0012586200000000 ] - [ 0.0021339200000000, -0.0047729900000000, -0.0038501200000000 ] - [ 0.0005996900000000, -0.0000773100000000, 0.0000712200000000 ] - [ -0.0016701800000000, -0.0015770200000000, 0.0001163900000000 ] - [ 0.0026938600000000, 0.0007451600000000, -0.0043058700000000 ] - [ 0.0001825900000000, 0.0005551500000000, -0.0002975000000000 ] - [ 0.0000121200000000, -0.0001115400000000, -0.0004922300000000 ] - [ -0.0001992300000000, -0.0001550800000000, -0.0002091500000000 ] - [ -0.0002370800000000, -0.0002220600000000, -0.0002458900000000 ] - [ 0.0008614200000000, 0.0001482900000000, 0.0003502600000000 ] - [ -0.0001734300000000, 0.0001741300000000, -0.0001051000000000 ] - [ 0.0003107500000000, -0.0030341300000000, -0.0006024500000000 ] - [ 0.0002061700000000, -0.0006866900000000, -0.0003457600000000 ] - [ 0.0002899700000000, 0.0006208600000000, -0.0003691900000000 ] - [ 0.0001575900000000, 0.0007432100000000, -0.0003879400000000 ] - [ -0.0000312500000000, 0.0003720900000000, 0.0002162500000000 ] - [ -0.0002248400000000, -0.0001821000000000, 0.0002415900000000 ] - [ 0.0000391900000000, 0.0039823900000000, -0.0000470600000000 ] - [ -0.0002056300000000, -0.0000204400000000, 0.0003089100000000 ] - [ 0.0007205200000000, -0.0001418300000000, 0.0003951100000000 ] - [ 0.0007333600000000, -0.0002752600000000, 0.0004969000000000 ] - [ 0.0006150600000000, -0.0000456300000000, 0.0000838100000000 ] - [ 0.0007080400000000, 0.0002359000000000, 0.0005053400000000 ] - [ -0.0000565400000000, 0.0000598800000000, -0.0002334000000000 ] - [ -0.0001538900000000, 0.0000413300000000, -0.0000992800000000 ] - [ -0.0003272300000000, 0.0002969900000000, 0.0001787000000000 ] - [ -0.0001006300000000, -0.0000221200000000, -0.0000792700000000 ] - [ -0.0105218400000000, 0.0014555200000000, 0.0014941900000000 ] - [ 0.0005553100000000, 0.0009017800000000, -0.0008872300000000 ] - [ -0.0058211000000000, -0.0014177100000000, 0.0034267200000000 ] - [ 0.0001431700000000, 0.0006663200000000, 0.0004729200000000 ] - [ -0.0000375000000000, -0.0005750400000000, 0.0002687300000000 ] - [ -0.0005173900000000, 0.0005076600000000, 0.0004795700000000 ] - [ 0.0038214600000000, 0.0024733100000000, 0.0028294900000000 ] - [ -0.0029706500000000, -0.0006826000000000, 0.0019436500000000 ] - [ 0.0008256200000000, -0.0004318500000000, -0.0000566800000000 ] - [ 0.0001318500000000, -0.0008202000000000, 0.0000337900000000 ] - [ -0.0002613300000000, 0.0006800000000000, 0.0001303800000000 ] - [ 0.0062929600000000, -0.0053633800000000, 0.0051984300000000 ] - [ -0.0039188100000000, 0.0035708200000000, 0.0046117800000000 ] - [ 0.0004327900000000, 0.0005246400000000, -0.0004697200000000 ] - [ 0.0047328900000000, 0.0019093000000000, -0.0020121300000000 ] - [ -0.0010486000000000, -0.0007170300000000, 0.0004770900000000 ] - [ -0.0128872100000000, -0.0001524400000000, 0.0002523300000000 ] - [ 0.0004250900000000, -0.0002972200000000, 0.0002723300000000 ] - [ 0.0000350600000000, -0.0011002500000000, 0.0008397000000000 ] - [ -0.0009291100000000, 0.0014500400000000, 0.0029078000000000 ] - [ -0.0014910000000000, -0.0020495000000000, 0.0019461300000000 ] - [ 0.0036517700000000, -0.0012022500000000, -0.0001212900000000 ] - [ -0.0013790400000000, -0.0009686600000000, -0.0003230800000000 ] - [ 0.0002350800000000, 0.0007375100000000, 0.0009036500000000 ] - [ -0.0000334800000000, 0.0002710700000000, -0.0001904600000000 ] - [ -0.0001921800000000, 0.0004933200000000, -0.0001205900000000 ] - [ -0.0003337500000000, 0.0004137500000000, 0.0007988900000000 ] - [ -0.0004678800000000, 0.0001764000000000, 0.0006043600000000 ] - [ -0.0002993700000000, -0.0019074000000000, 0.0002221500000000 ] - [ -0.0002372500000000, 0.0002297000000000, 0.0002833400000000 ] - [ -0.0003694700000000, -0.0004831600000000, 0.0004078500000000 ] - [ -0.0001973900000000, -0.0001038900000000, 0.0003667300000000 ] - [ -0.0004560700000000, 0.0009998800000000, 0.0003310100000000 ] - [ 0.0006613400000000, -0.0006455300000000, -0.0002208900000000 ] - [ 0.0004215900000000, 0.0005135600000000, 0.0000621500000000 ] - [ 0.0003236200000000, 0.0010584900000000, 0.0000342000000000 ] - [ 0.0002794100000000, 0.0003692500000000, 0.0000782600000000 ] - [ 0.0000931000000000, 0.0004161800000000, 0.0000865800000000 ] - [ -0.0001989200000000, -0.0004771600000000, 0.0000532300000000 ] - [ 0.0001871700000000, -0.0002436400000000, -0.0001935400000000 ] - [ -0.0000612900000000, 0.0004580000000000, -0.0002782000000000 ] - [ -0.0001590500000000, 0.0004311800000000, -0.0003689100000000 ] - [ -0.0002786200000000, -0.0004393800000000, -0.0004615800000000 ] - [ -0.0003859900000000, 0.0010438500000000, -0.0005911800000000 ] - [ -0.0003992300000000, -0.0004608800000000, 0.0004757800000000 ] - [ -0.0007216800000000, -0.0000059600000000, 0.0005793800000000 ] - [ -0.0003404400000000, -0.0016190200000000, -0.0005050600000000 ] - [ -0.0004180600000000, -0.0004849400000000, -0.0003206700000000 ] - [ 0.0697681200000000, -0.0037764900000000, -0.0006597100000000 ] - [ -0.0010682200000000, -0.0015231000000000, 0.0000265400000000 ] - [ 0.0035549000000000, 0.0057991300000000, -0.0043453100000000 ] - [ 0.0023956000000000, -0.0017215900000000, -0.0050649100000000 ] - [ -0.0004093700000000, -0.0010689300000000, -0.0002337200000000 ] - [ 0.0000070500000000, -0.0009915600000000, -0.0001950100000000 ] - [ 0.0006113900000000, 0.0015712000000000, 0.0002542200000000 ] - [ 0.0005892700000000, 0.0004496100000000, 0.0006407700000000 ] - [ -0.0639807200000000, 0.0048521500000000, -0.0083987200000000 ] - [ 0.0005028800000000, -0.0000821300000000, -0.0009397900000000 ] - [ -0.0002236500000000, -0.0029750200000000, 0.0032528400000000 ] - [ -0.0002555600000000, 0.0033357800000000, 0.0034131000000000 ] - [ 0.0002173300000000, 0.0000832200000000, -0.0003553700000000 ] - [ 0.0000303400000000, 0.0000786400000000, -0.0003544000000000 ] - [ -0.0002319800000000, -0.0003595000000000, -0.0006792400000000 ] - [ -0.0002273800000000, 0.0000480100000000, -0.0007192800000000 ]- atom: 97 displacement: [ -0.0099998839938813, 0.0000000000000000, 0.0000481675089282 ] forces: - [ -0.0013321600000000, -0.0004999700000000, -0.0009817500000000 ] - [ -0.0026835600000000, 0.0018040400000000, -0.0035890500000000 ] - [ 0.0003947300000000, 0.0001829600000000, -0.0002508400000000 ] - [ -0.0003236100000000, 0.0002142700000000, -0.0001645200000000 ] - [ 0.0000645900000000, -0.0001138200000000, -0.0004018400000000 ] - [ 0.0002316600000000, -0.0009683400000000, -0.0003289800000000 ] - [ -0.0008568500000000, 0.0033732700000000, 0.0004384100000000 ] - [ 0.0004661500000000, 0.0004628800000000, -0.0005281200000000 ] - [ -0.0005588200000000, -0.0011932900000000, 0.0002053400000000 ] - [ -0.0002550900000000, -0.0000584100000000, 0.0001135500000000 ] - [ -0.0000268700000000, -0.0004521300000000, 0.0001321100000000 ] - [ -0.0001123900000000, -0.0000634900000000, 0.0002539800000000 ] - [ -0.0008875600000000, -0.0027502000000000, 0.0046394000000000 ] - [ 0.0019141200000000, -0.0012641900000000, 0.0021265200000000 ] - [ -0.0006704100000000, 0.0052543000000000, 0.0048108600000000 ] - [ 0.0008601000000000, 0.0004880200000000, 0.0008283800000000 ] - [ 0.0014710800000000, 0.0016764500000000, -0.0004693500000000 ] - [ -0.0028984900000000, -0.0006623700000000, 0.0039805100000000 ] - [ -0.0003653700000000, -0.0006544100000000, -0.0000912700000000 ] - [ -0.0001882100000000, 0.0000096500000000, 0.0001083700000000 ] - [ -0.0001926500000000, -0.0001910200000000, -0.0002184500000000 ] - [ -0.0001532200000000, -0.0001235800000000, -0.0001798300000000 ] - [ -0.0012522200000000, 0.0001924000000000, -0.0007754500000000 ] - [ -0.0002169500000000, 0.0001721700000000, -0.0003203700000000 ] - [ 0.0000572300000000, 0.0015783800000000, -0.0000600600000000 ] - [ 0.0001529600000000, -0.0007821300000000, -0.0003380700000000 ] - [ 0.0000662200000000, 0.0008480300000000, -0.0003148100000000 ] - [ 0.0001999100000000, 0.0007261800000000, -0.0002959900000000 ] - [ -0.0001790800000000, -0.0000953600000000, 0.0002166500000000 ] - [ 0.0000137300000000, 0.0004563000000000, 0.0001930900000000 ] - [ -0.0002314300000000, -0.0043262900000000, 0.0004816200000000 ] - [ -0.0000075600000000, -0.0002539900000000, 0.0001269100000000 ] - [ 0.0007397800000000, -0.0002616200000000, 0.0004987200000000 ] - [ 0.0007268800000000, -0.0001291000000000, 0.0003987100000000 ] - [ 0.0008451000000000, 0.0004516700000000, 0.0008160800000000 ] - [ 0.0007520900000000, 0.0001691200000000, 0.0003898400000000 ] - [ -0.0001220700000000, 0.0000412600000000, -0.0001481500000000 ] - [ -0.0000241300000000, 0.0000599900000000, -0.0002822600000000 ] - [ 0.0001583600000000, -0.0003969700000000, -0.0005707900000000 ] - [ -0.0000786900000000, -0.0000788000000000, -0.0003007400000000 ] - [ 0.0098132800000000, -0.0005836900000000, -0.0017516300000000 ] - [ -0.0008436100000000, 0.0000104900000000, 0.0005856200000000 ] - [ 0.0043451000000000, 0.0019698600000000, -0.0022604000000000 ] - [ -0.0010251600000000, -0.0002806400000000, 0.0007706000000000 ] - [ -0.0005706600000000, 0.0012431200000000, 0.0005273700000000 ] - [ -0.0000975700000000, 0.0001596500000000, 0.0003153700000000 ] - [ -0.0044210700000000, -0.0031783600000000, -0.0020678800000000 ] - [ 0.0023863900000000, 0.0000317000000000, -0.0011804200000000 ] - [ -0.0000617500000000, -0.0008653400000000, 0.0001811500000000 ] - [ 0.0006357600000000, -0.0004825900000000, 0.0000819900000000 ] - [ 0.0010110200000000, 0.0006206300000000, -0.0000124400000000 ] - [ -0.0055289200000000, 0.0065470000000000, -0.0050086400000000 ] - [ 0.0049066500000000, -0.0025916200000000, -0.0042194000000000 ] - [ -0.0001891100000000, 0.0002858100000000, 0.0006240900000000 ] - [ -0.0044752800000000, -0.0026850000000000, 0.0021350200000000 ] - [ 0.0012751800000000, -0.0000855900000000, -0.0003282300000000 ] - [ 0.0127633000000000, 0.0009524200000000, -0.0008676400000000 ] - [ -0.0007030800000000, 0.0010899500000000, -0.0009425300000000 ] - [ -0.0002988200000000, 0.0003146200000000, -0.0015553800000000 ] - [ 0.0006240500000000, -0.0022640300000000, -0.0036483500000000 ] - [ 0.0006425900000000, 0.0016207800000000, -0.0006794800000000 ] - [ -0.0045425400000000, 0.0008282800000000, 0.0013700900000000 ] - [ 0.0011155600000000, 0.0000723000000000, 0.0000418400000000 ] - [ -0.0005412100000000, -0.0016201700000000, -0.0011835300000000 ] - [ -0.0002659100000000, 0.0006365300000000, -0.0000953500000000 ] - [ -0.0001078200000000, 0.0004157500000000, -0.0001654000000000 ] - [ -0.0005553300000000, -0.0000345200000000, 0.0004511600000000 ] - [ -0.0004216500000000, 0.0002049300000000, 0.0006450600000000 ] - [ -0.0003279900000000, 0.0026115500000000, 0.0005726200000000 ] - [ -0.0003726900000000, 0.0004358800000000, 0.0005065700000000 ] - [ -0.0002431000000000, -0.0001823000000000, 0.0003855200000000 ] - [ -0.0004155600000000, -0.0005630300000000, 0.0004225400000000 ] - [ 0.0012332100000000, -0.0022753200000000, -0.0002073200000000 ] - [ 0.0001025900000000, -0.0006588300000000, 0.0003419500000000 ] - [ 0.0003465200000000, 0.0007910100000000, 0.0000594500000000 ] - [ 0.0004449700000000, 0.0002377100000000, 0.0000867700000000 ] - [ -0.0000266200000000, 0.0004351500000000, 0.0000743400000000 ] - [ 0.0001610700000000, 0.0003880700000000, 0.0000660600000000 ] - [ 0.0004473700000000, -0.0003289400000000, 0.0001024100000000 ] - [ 0.0000665000000000, -0.0005627400000000, 0.0003477300000000 ] - [ -0.0002149000000000, 0.0003413900000000, -0.0004024200000000 ] - [ -0.0001171900000000, 0.0003676400000000, -0.0003144500000000 ] - [ 0.0000024900000000, -0.0003612400000000, -0.0002200000000000 ] - [ 0.0001127400000000, -0.0018581100000000, -0.0000925400000000 ] - [ -0.0004897800000000, 0.0000756300000000, 0.0007735100000000 ] - [ -0.0001636100000000, -0.0003782500000000, 0.0006698400000000 ] - [ 0.0000324400000000, 0.0006891300000000, 0.0002245600000000 ] - [ 0.0001238000000000, -0.0004189000000000, 0.0000349400000000 ] - [ -0.0700200100000000, 0.0018973600000000, 0.0002827300000000 ] - [ 0.0009177000000000, -0.0004550800000000, -0.0004508700000000 ] - [ -0.0038468400000000, -0.0038442100000000, 0.0039667500000000 ] - [ -0.0024503300000000, 0.0036341300000000, 0.0046527100000000 ] - [ 0.0002623600000000, -0.0008941700000000, -0.0001970200000000 ] - [ -0.0001544700000000, -0.0009725900000000, -0.0002322800000000 ] - [ -0.0007484200000000, 0.0004012100000000, -0.0006806200000000 ] - [ -0.0007456000000000, 0.0015198500000000, -0.0010749000000000 ] - [ 0.0643739400000000, -0.0049375400000000, 0.0072924200000000 ] - [ -0.0003364300000000, 0.0003118200000000, 0.0001876700000000 ] - [ 0.0004231600000000, 0.0027661300000000, -0.0040434900000000 ] - [ 0.0003899400000000, -0.0035343400000000, -0.0041310300000000 ] - [ -0.0000543000000000, 0.0001463800000000, -0.0004023100000000 ] - [ 0.0001338200000000, 0.0001504800000000, -0.0004009900000000 ] - [ 0.0003907500000000, 0.0001290300000000, -0.0000814900000000 ] - [ 0.0003958000000000, -0.0002781000000000, -0.0000303300000000 ]- atom: 97 displacement: [ 0.0000000000000000, 0.0100000000000000, 0.0000000000000000 ] forces: - [ 0.0029955100000000, -0.0004096800000000, 0.0027968800000000 ] - [ -0.0041940700000000, -0.0029780100000000, -0.0047972200000000 ] - [ -0.0005508500000000, 0.0021347900000000, -0.0003192000000000 ] - [ -0.0002910200000000, 0.0003867900000000, -0.0003624300000000 ] - [ 0.0001734700000000, 0.0011614900000000, -0.0001031200000000 ] - [ 0.0001435200000000, 0.0008952300000000, -0.0004044200000000 ] - [ -0.0021314700000000, -0.0005725700000000, 0.0010832200000000 ] - [ 0.0003942100000000, -0.0008349800000000, -0.0016450600000000 ] - [ 0.0019072500000000, 0.0051581900000000, 0.0035205000000000 ] - [ -0.0006687200000000, 0.0006497800000000, -0.0003347600000000 ] - [ -0.0008364200000000, 0.0028686400000000, 0.0005062700000000 ] - [ -0.0003249500000000, 0.0016122600000000, 0.0002457000000000 ] - [ 0.0016484500000000, -0.0053913800000000, 0.0034955500000000 ] - [ 0.0013339400000000, -0.0077045000000000, 0.0043933400000000 ] - [ -0.0016738400000000, 0.0018406800000000, 0.0011503600000000 ] - [ 0.0006405500000000, -0.0019106900000000, -0.0016602100000000 ] - [ -0.0023954300000000, -0.0029494000000000, 0.0057134400000000 ] - [ -0.0003091600000000, -0.0007555700000000, -0.0011697500000000 ] - [ 0.0005063300000000, 0.0011797100000000, 0.0000688500000000 ] - [ -0.0004039700000000, 0.0000704800000000, 0.0004842600000000 ] - [ -0.0001439900000000, 0.0003760100000000, -0.0002931600000000 ] - [ -0.0000511400000000, 0.0003649800000000, -0.0000235300000000 ] - [ -0.0002714500000000, 0.0007137600000000, -0.0000091600000000 ] - [ -0.0003816400000000, 0.0003211300000000, -0.0003808100000000 ] - [ -0.0006042600000000, 0.0058583600000000, -0.0023270900000000 ] - [ 0.0001027700000000, -0.0004855500000000, -0.0002605400000000 ] - [ 0.0003355200000000, 0.0030989700000000, -0.0004044400000000 ] - [ 0.0002313900000000, 0.0022603900000000, -0.0003123300000000 ] - [ 0.0001505600000000, 0.0027322100000000, -0.0000412200000000 ] - [ 0.0001437200000000, 0.0019902100000000, 0.0001519100000000 ] - [ 0.0023989400000000, 0.0000029800000000, -0.0004273000000000 ] - [ -0.0000779100000000, -0.0012368500000000, 0.0006187900000000 ] - [ 0.0006306800000000, 0.0013280300000000, -0.0007501800000000 ] - [ 0.0006565700000000, 0.0013261100000000, -0.0006992100000000 ] - [ 0.0008633100000000, 0.0022240900000000, 0.0021248000000000 ] - [ 0.0007504200000000, 0.0013949100000000, 0.0013636500000000 ] - [ 0.0002309500000000, 0.0006542800000000, -0.0009025500000000 ] - [ 0.0001172400000000, 0.0006290100000000, -0.0005361000000000 ] - [ 0.0001545600000000, 0.0015662800000000, 0.0008672000000000 ] - [ -0.0001063500000000, 0.0001379900000000, -0.0003884200000000 ] - [ -0.0056051400000000, 0.0143151600000000, -0.0019419600000000 ] - [ -0.0002719800000000, 0.0052815400000000, -0.0039341800000000 ] - [ 0.0016551700000000, 0.0136798900000000, -0.0017396500000000 ] - [ 0.0002549400000000, 0.0047346500000000, -0.0001316300000000 ] - [ -0.0004539400000000, -0.0033083300000000, -0.0004968200000000 ] - [ 0.0000682400000000, -0.0010201600000000, 0.0005352100000000 ] - [ 0.0000548500000000, 0.0101311800000000, 0.0019132500000000 ] - [ 0.0025889600000000, 0.0014214000000000, 0.0038261800000000 ] - [ 0.0008669900000000, -0.0037242300000000, 0.0003751200000000 ] - [ 0.0003518800000000, -0.0020765100000000, -0.0001367500000000 ] - [ -0.0014368400000000, 0.0017853500000000, -0.0023875000000000 ] - [ -0.0054724500000000, 0.0217077000000000, -0.0091272800000000 ] - [ 0.0001071900000000, 0.0137925600000000, 0.0016045600000000 ] - [ -0.0004707200000000, 0.0042463700000000, 0.0017568400000000 ] - [ 0.0003538200000000, 0.0136292000000000, -0.0073257600000000 ] - [ 0.0029113900000000, 0.0009462300000000, -0.0030724500000000 ] - [ 0.0022729400000000, 0.0111964200000000, -0.0012960800000000 ] - [ -0.0004966200000000, 0.0061857500000000, -0.0020944900000000 ] - [ -0.0005969300000000, -0.0021361700000000, 0.0051665200000000 ] - [ 0.0011664700000000, -0.0018966400000000, -0.0018160900000000 ] - [ -0.0051168800000000, 0.0048555000000000, 0.0034908100000000 ] - [ -0.0007037900000000, 0.0081848700000000, 0.0024852000000000 ] - [ -0.0033846700000000, -0.0038458000000000, 0.0014744000000000 ] - [ -0.0001584800000000, -0.0031646400000000, -0.0021058000000000 ] - [ 0.0006181900000000, -0.0032536700000000, 0.0005679800000000 ] - [ 0.0003185100000000, -0.0021557500000000, 0.0006513700000000 ] - [ -0.0011206700000000, -0.0032265600000000, 0.0007367300000000 ] - [ -0.0009493400000000, -0.0022142600000000, 0.0010050000000000 ] - [ -0.0014579200000000, -0.0010569200000000, 0.0005175100000000 ] - [ -0.0001760800000000, 0.0005670000000000, 0.0002296600000000 ] - [ -0.0006851400000000, -0.0028064400000000, 0.0007066500000000 ] - [ -0.0007044300000000, -0.0022389900000000, 0.0003673600000000 ] - [ 0.0017328200000000, -0.0015779000000000, -0.0015629700000000 ] - [ 0.0002176100000000, -0.0005760800000000, 0.0012259400000000 ] - [ 0.0004252200000000, -0.0013659800000000, 0.0003918500000000 ] - [ 0.0003710800000000, -0.0016348500000000, -0.0000512500000000 ] - [ 0.0006484200000000, -0.0019761600000000, -0.0005449800000000 ] - [ 0.0005545100000000, -0.0014556100000000, -0.0004855000000000 ] - [ -0.0004943300000000, -0.0027137300000000, 0.0002322200000000 ] - [ -0.0002719700000000, -0.0023338500000000, 0.0013601700000000 ] - [ -0.0004614400000000, -0.0024426300000000, -0.0001558700000000 ] - [ -0.0002894000000000, -0.0017912100000000, 0.0000364800000000 ] - [ -0.0004291700000000, -0.0016912600000000, -0.0014417000000000 ] - [ 0.0007144900000000, -0.0049810300000000, 0.0005190800000000 ] - [ 0.0000603000000000, -0.0032039000000000, -0.0001092800000000 ] - [ 0.0004237200000000, -0.0030704400000000, 0.0008120400000000 ] - [ -0.0013491300000000, -0.0047968100000000, -0.0019156100000000 ] - [ -0.0001159200000000, -0.0020006300000000, 0.0004011700000000 ] - [ 0.0005237900000000, -0.0337960100000000, 0.0021091000000000 ] - [ 0.0012811700000000, -0.0096264100000000, 0.0005477100000000 ] - [ 0.0128790200000000, 0.0068706700000000, -0.0142474900000000 ] - [ -0.0059888700000000, 0.0067941000000000, 0.0082745300000000 ] - [ -0.0002572800000000, 0.0044821800000000, -0.0006038900000000 ] - [ -0.0003380600000000, 0.0030768500000000, -0.0006392700000000 ] - [ 0.0012452300000000, 0.0060585700000000, 0.0021949500000000 ] - [ -0.0012355200000000, 0.0056975700000000, -0.0028130300000000 ] - [ 0.0048898800000000, -0.0795222000000000, 0.0104557000000000 ] - [ -0.0001140000000000, -0.0058412300000000, -0.0009543000000000 ] - [ -0.0033868200000000, 0.0008592200000000, -0.0057452200000000 ] - [ 0.0029895800000000, 0.0008555400000000, 0.0044319500000000 ] - [ 0.0000538200000000, 0.0038867500000000, -0.0003973600000000 ] - [ 0.0000487600000000, 0.0032192100000000, -0.0004644700000000 ] - [ -0.0000716200000000, 0.0031762700000000, 0.0008904000000000 ] - [ 0.0003233500000000, 0.0031767100000000, -0.0015875200000000 ]- atom: 97 displacement: [ 0.0000000000000000, -0.0100000000000000, 0.0000000000000000 ] forces: - [ -0.0034031100000000, 0.0000702300000000, -0.0032423200000000 ] - [ 0.0038162500000000, 0.0026376600000000, 0.0043960500000000 ] - [ 0.0001383900000000, -0.0017744500000000, -0.0001333300000000 ] - [ -0.0001194900000000, -0.0000449600000000, -0.0000881100000000 ] - [ 0.0001886200000000, -0.0026260900000000, -0.0005762500000000 ] - [ 0.0002185800000000, -0.0023610600000000, -0.0002783900000000 ] - [ 0.0025152000000000, 0.0020617700000000, -0.0017761500000000 ] - [ -0.0000337300000000, 0.0023022100000000, 0.0009677000000000 ] - [ -0.0021427600000000, -0.0048762000000000, -0.0031544700000000 ] - [ 0.0004547700000000, -0.0003328400000000, 0.0007655600000000 ] - [ 0.0006134300000000, -0.0031665500000000, -0.0000755400000000 ] - [ 0.0001096800000000, -0.0019245900000000, 0.0001825300000000 ] - [ -0.0002002700000000, 0.0049815800000000, -0.0025843400000000 ] - [ 0.0001274300000000, 0.0073247800000000, -0.0035445600000000 ] - [ 0.0030979600000000, -0.0014778700000000, -0.0002865400000000 ] - [ 0.0008189700000000, 0.0022942600000000, 0.0025354400000000 ] - [ 0.0022054200000000, 0.0030658800000000, -0.0060970600000000 ] - [ 0.0001268800000000, 0.0008768100000000, 0.0007795500000000 ] - [ -0.0006842900000000, -0.0012833300000000, -0.0004425800000000 ] - [ 0.0002142500000000, -0.0001809000000000, -0.0008534500000000 ] - [ -0.0002658400000000, -0.0007198400000000, -0.0001563300000000 ] - [ -0.0003592800000000, -0.0007096000000000, -0.0004241800000000 ] - [ -0.0001402900000000, -0.0003684000000000, -0.0004411600000000 ] - [ -0.0000286800000000, 0.0000239400000000, -0.0000686900000000 ] - [ 0.0010069300000000, -0.0073901300000000, 0.0017142200000000 ] - [ 0.0002595300000000, -0.0009651000000000, -0.0004214500000000 ] - [ 0.0000267900000000, -0.0016358500000000, -0.0002762700000000 ] - [ 0.0001302800000000, -0.0008074200000000, -0.0003676900000000 ] - [ -0.0003669100000000, -0.0024287400000000, 0.0004694500000000 ] - [ -0.0003616400000000, -0.0016932800000000, 0.0002792200000000 ] - [ -0.0026495900000000, -0.0002805000000000, 0.0008659900000000 ] - [ -0.0001390900000000, 0.0009370400000000, -0.0001891700000000 ] - [ 0.0008287700000000, -0.0017143900000000, 0.0016297800000000 ] - [ 0.0008028900000000, -0.0017156100000000, 0.0015836500000000 ] - [ 0.0005961900000000, -0.0018429500000000, -0.0012457700000000 ] - [ 0.0007090700000000, -0.0010089600000000, -0.0004832300000000 ] - [ -0.0004223500000000, -0.0005463500000000, 0.0005364600000000 ] - [ -0.0003110300000000, -0.0005217900000000, 0.0001769100000000 ] - [ -0.0003522900000000, -0.0016877000000000, -0.0012394400000000 ] - [ -0.0000865000000000, -0.0002444200000000, 0.0000271900000000 ] - [ 0.0052408900000000, -0.0135366700000000, 0.0017487300000000 ] - [ -0.0000101600000000, -0.0044167800000000, 0.0036977000000000 ] - [ -0.0027328600000000, -0.0131297400000000, 0.0029336700000000 ] - [ -0.0011435600000000, -0.0043286500000000, 0.0013936300000000 ] - [ -0.0001675900000000, 0.0039620500000000, 0.0012658200000000 ] - [ -0.0006831600000000, 0.0017024300000000, 0.0002449600000000 ] - [ -0.0007607300000000, -0.0110225500000000, -0.0014675700000000 ] - [ -0.0032207800000000, -0.0021124800000000, -0.0030434200000000 ] - [ -0.0000573800000000, 0.0024467000000000, -0.0002176100000000 ] - [ 0.0004559600000000, 0.0008148700000000, 0.0002912900000000 ] - [ 0.0022395100000000, -0.0005237600000000, 0.0025365800000000 ] - [ 0.0066666500000000, -0.0211726800000000, 0.0099098300000000 ] - [ 0.0002932100000000, -0.0129862000000000, -0.0014408600000000 ] - [ 0.0007907900000000, -0.0034692600000000, -0.0016430600000000 ] - [ 0.0001468300000000, -0.0138399300000000, 0.0068131500000000 ] - [ -0.0025998900000000, -0.0017106100000000, 0.0031905400000000 ] - [ -0.0025679200000000, -0.0104946700000000, 0.0005917100000000 ] - [ 0.0001658000000000, -0.0054646300000000, 0.0014282400000000 ] - [ 0.0002656100000000, 0.0014163500000000, -0.0058464200000000 ] - [ -0.0014904400000000, 0.0011955200000000, 0.0011474100000000 ] - [ 0.0042044500000000, -0.0052381700000000, -0.0022297100000000 ] - [ -0.0002561900000000, -0.0084315600000000, -0.0009401400000000 ] - [ 0.0030926300000000, 0.0029803300000000, -0.0017021800000000 ] - [ -0.0001221900000000, 0.0023255400000000, 0.0018716500000000 ] - [ -0.0009011700000000, 0.0041251800000000, -0.0008114600000000 ] - [ -0.0006038800000000, 0.0030349900000000, -0.0008923500000000 ] - [ 0.0002306700000000, 0.0036351000000000, 0.0005219100000000 ] - [ 0.0000603300000000, 0.0026216600000000, 0.0002511300000000 ] - [ 0.0008660000000000, 0.0017244400000000, 0.0002549300000000 ] - [ -0.0004358000000000, 0.0001026900000000, 0.0005455400000000 ] - [ 0.0000726500000000, 0.0021339200000000, 0.0000718000000000 ] - [ 0.0000933500000000, 0.0015709500000000, 0.0004042000000000 ] - [ -0.0009420000000000, 0.0003000000000000, 0.0017312000000000 ] - [ 0.0005903900000000, -0.0007004100000000, -0.0010766000000000 ] - [ 0.0003798400000000, 0.0026434400000000, -0.0002377500000000 ] - [ 0.0004353600000000, 0.0029107700000000, 0.0002023400000000 ] - [ -0.0003255900000000, 0.0027527600000000, 0.0006558200000000 ] - [ -0.0002350800000000, 0.0022323500000000, 0.0005996900000000 ] - [ 0.0008161700000000, 0.0019425700000000, -0.0001162800000000 ] - [ 0.0005921100000000, 0.0015607100000000, -0.0012518800000000 ] - [ 0.0001294400000000, 0.0031738300000000, -0.0005129900000000 ] - [ -0.0000414800000000, 0.0025286400000000, -0.0007070200000000 ] - [ 0.0001019700000000, 0.0009551500000000, 0.0007793600000000 ] - [ -0.0010526200000000, 0.0042574300000000, -0.0011997800000000 ] - [ -0.0009508500000000, 0.0028027100000000, 0.0013692900000000 ] - [ -0.0013158900000000, 0.0026694400000000, 0.0004404700000000 ] - [ 0.0010693200000000, 0.0039248200000000, 0.0016873800000000 ] - [ -0.0001707900000000, 0.0011188000000000, -0.0006484400000000 ] - [ -0.0006816500000000, 0.0319180300000000, -0.0025405600000000 ] - [ -0.0014666000000000, 0.0077348600000000, -0.0009901300000000 ] - [ -0.0130188900000000, -0.0049498900000000, 0.0137249800000000 ] - [ 0.0058185500000000, -0.0049443900000000, -0.0086684700000000 ] - [ 0.0000728600000000, -0.0063830000000000, 0.0001665300000000 ] - [ 0.0001569500000000, -0.0049795500000000, 0.0002018500000000 ] - [ -0.0014322000000000, -0.0041683300000000, -0.0026453000000000 ] - [ 0.0010615500000000, -0.0038020100000000, 0.0023932900000000 ] - [ -0.0050069000000000, 0.0799959000000000, -0.0111662200000000 ] - [ 0.0002847500000000, 0.0061022400000000, 0.0001836700000000 ] - [ 0.0035338500000000, -0.0011390500000000, 0.0049632400000000 ] - [ -0.0027995300000000, -0.0011423100000000, -0.0051730800000000 ] - [ 0.0001169700000000, -0.0036339600000000, -0.0003687500000000 ] - [ 0.0001212700000000, -0.0029681800000000, -0.0003027700000000 ] - [ 0.0002421000000000, -0.0034368000000000, -0.0016667600000000 ] - [ -0.0001541700000000, -0.0034372300000000, 0.0008307700000000 ]- atom: 97 displacement: [ -0.0049439770564842, 0.0000000000000000, 0.0086923581877968 ] forces: - [ 0.0025294900000000, 0.0005283000000000, 0.0026304200000000 ] - [ 0.0018526800000000, -0.0009777000000000, 0.0017637000000000 ] - [ -0.0000433100000000, -0.0002456200000000, -0.0016557600000000 ] - [ -0.0002137700000000, 0.0001981600000000, 0.0006114100000000 ] - [ 0.0000860600000000, 0.0006739300000000, -0.0006552900000000 ] - [ 0.0003028500000000, -0.0018420700000000, -0.0000463000000000 ] - [ -0.0011173600000000, 0.0037980500000000, -0.0007425100000000 ] - [ 0.0000385100000000, -0.0003189400000000, 0.0007124700000000 ] - [ 0.0011030000000000, 0.0053036800000000, -0.0008415800000000 ] - [ -0.0000450800000000, -0.0011328700000000, 0.0007230100000000 ] - [ -0.0001877000000000, -0.0002037500000000, 0.0002035800000000 ] - [ -0.0000715200000000, -0.0001412700000000, 0.0003302200000000 ] - [ -0.0024398200000000, -0.0010421800000000, 0.0035400600000000 ] - [ 0.0007286500000000, -0.0043413700000000, 0.0103027500000000 ] - [ -0.0007500800000000, 0.0006308600000000, -0.0017477400000000 ] - [ 0.0009008600000000, 0.0021707800000000, 0.0032152500000000 ] - [ -0.0003347000000000, 0.0017248300000000, 0.0076507700000000 ] - [ -0.0015035300000000, -0.0007632000000000, 0.0020391400000000 ] - [ 0.0000059100000000, -0.0011432900000000, -0.0023852100000000 ] - [ -0.0007343400000000, 0.0004663400000000, 0.0020445900000000 ] - [ -0.0001817200000000, -0.0003015200000000, -0.0001547700000000 ] - [ -0.0002273500000000, -0.0000480000000000, -0.0002610300000000 ] - [ -0.0009665000000000, 0.0001299600000000, -0.0018084500000000 ] - [ 0.0002626400000000, 0.0000942400000000, 0.0006080000000000 ] - [ -0.0003809400000000, -0.0034542200000000, -0.0009817700000000 ] - [ 0.0001670800000000, 0.0001716500000000, 0.0000034900000000 ] - [ 0.0000278700000000, 0.0002599800000000, -0.0002478200000000 ] - [ 0.0001800800000000, 0.0010481100000000, -0.0003471300000000 ] - [ -0.0002894200000000, -0.0014585400000000, 0.0001548200000000 ] - [ 0.0002374300000000, 0.0018276400000000, 0.0001680400000000 ] - [ -0.0005145000000000, -0.0040301500000000, -0.0006993500000000 ] - [ -0.0002099300000000, 0.0005415700000000, 0.0009868600000000 ] - [ 0.0007161600000000, 0.0000174400000000, 0.0002304100000000 ] - [ 0.0007337300000000, -0.0004218100000000, 0.0006938200000000 ] - [ 0.0006879700000000, -0.0002812000000000, -0.0006014700000000 ] - [ 0.0007263700000000, 0.0005645100000000, 0.0011412200000000 ] - [ -0.0002506200000000, -0.0000359500000000, 0.0002156800000000 ] - [ 0.0000763600000000, 0.0001197700000000, -0.0005713400000000 ] - [ 0.0004572200000000, -0.0002641400000000, -0.0021324500000000 ] - [ -0.0003574400000000, 0.0000708100000000, 0.0007765100000000 ] - [ 0.0058523600000000, -0.0011305000000000, 0.0076289300000000 ] - [ -0.0006424000000000, 0.0015985600000000, -0.0058080400000000 ] - [ -0.0003855200000000, 0.0003940800000000, 0.0097880500000000 ] - [ -0.0007943700000000, -0.0000066900000000, -0.0037314200000000 ] - [ -0.0003626300000000, 0.0003144900000000, 0.0026608900000000 ] - [ -0.0000437100000000, 0.0003998200000000, -0.0017948200000000 ] - [ -0.0027637700000000, 0.0013862700000000, 0.0074583200000000 ] - [ -0.0004641000000000, 0.0003909500000000, -0.0026327600000000 ] - [ -0.0000278200000000, 0.0007294100000000, 0.0011697800000000 ] - [ 0.0004406600000000, -0.0013680800000000, -0.0009137400000000 ] - [ -0.0011292000000000, -0.0001230400000000, -0.0029948000000000 ] - [ 0.0023638000000000, -0.0049080400000000, 0.0079609100000000 ] - [ 0.0013404000000000, -0.0002909800000000, 0.0081442100000000 ] - [ 0.0003933600000000, -0.0004049500000000, -0.0049166500000000 ] - [ -0.0018621800000000, -0.0071924200000000, 0.0095072100000000 ] - [ 0.0043308600000000, -0.0012234200000000, -0.0037514300000000 ] - [ 0.0119939100000000, 0.0005621600000000, 0.0081550800000000 ] - [ -0.0020089900000000, 0.0016496500000000, -0.0090078500000000 ] - [ -0.0003211700000000, 0.0015942300000000, -0.0061069800000000 ] - [ 0.0030449300000000, -0.0033411000000000, 0.0018346100000000 ] - [ 0.0031430500000000, 0.0007297700000000, -0.0030718400000000 ] - [ -0.0014718400000000, 0.0024307300000000, 0.0081938300000000 ] - [ 0.0039442700000000, 0.0039150500000000, 0.0005426200000000 ] - [ 0.0000069400000000, -0.0064475100000000, -0.0041361600000000 ] - [ -0.0001730400000000, 0.0003656900000000, 0.0004045900000000 ] - [ -0.0001378500000000, 0.0005868200000000, -0.0006468400000000 ] - [ -0.0004402100000000, 0.0003916300000000, 0.0014565600000000 ] - [ -0.0004081900000000, 0.0001459300000000, -0.0000611800000000 ] - [ -0.0000008500000000, 0.0027598300000000, 0.0022928400000000 ] - [ -0.0003861600000000, -0.0002623100000000, -0.0009381200000000 ] - [ -0.0001348300000000, 0.0007826800000000, 0.0003473800000000 ] - [ -0.0005686400000000, -0.0014818500000000, 0.0004544200000000 ] - [ 0.0012480400000000, -0.0025768500000000, 0.0016376800000000 ] - [ 0.0002958400000000, 0.0002985300000000, -0.0012145300000000 ] - [ 0.0003072100000000, 0.0013970700000000, -0.0003031800000000 ] - [ 0.0004964900000000, -0.0002646500000000, 0.0004467000000000 ] - [ 0.0000011700000000, 0.0006539800000000, 0.0006420300000000 ] - [ 0.0003028800000000, 0.0002264700000000, -0.0004858100000000 ] - [ -0.0003176000000000, -0.0010271300000000, 0.0003847700000000 ] - [ 0.0003521100000000, 0.0000926800000000, -0.0004581000000000 ] - [ 0.0000478000000000, 0.0007011300000000, 0.0003172700000000 ] - [ -0.0003257500000000, 0.0002056100000000, -0.0009609500000000 ] - [ -0.0002511000000000, -0.0011274400000000, -0.0010100400000000 ] - [ -0.0004423900000000, 0.0016363000000000, -0.0001315600000000 ] - [ -0.0003234400000000, -0.0009656700000000, 0.0001295100000000 ] - [ -0.0006881000000000, 0.0004520100000000, 0.0007252500000000 ] - [ -0.0012345200000000, -0.0037831000000000, 0.0005103300000000 ] - [ 0.0000837000000000, 0.0005483500000000, -0.0007875400000000 ] - [ -0.0329781300000000, 0.0019649800000000, -0.0250412200000000 ] - [ 0.0026293000000000, -0.0006151100000000, 0.0116911000000000 ] - [ -0.0127015300000000, -0.0112600100000000, 0.0126555300000000 ] - [ -0.0118266200000000, 0.0161637400000000, 0.0087299000000000 ] - [ -0.0001505000000000, -0.0011578800000000, -0.0014639300000000 ] - [ -0.0000470900000000, -0.0009062300000000, 0.0008981300000000 ] - [ 0.0008229600000000, 0.0026059200000000, 0.0007194100000000 ] - [ 0.0001097700000000, -0.0004162600000000, 0.0004657600000000 ] - [ 0.0248015700000000, 0.0067075400000000, -0.0661555900000000 ] - [ -0.0005850000000000, -0.0002737200000000, 0.0055917700000000 ] - [ 0.0035247500000000, -0.0028694900000000, 0.0005689400000000 ] - [ 0.0034286000000000, 0.0028116000000000, 0.0004759900000000 ] - [ 0.0000331700000000, 0.0001331200000000, -0.0014155300000000 ] - [ 0.0001357600000000, 0.0000779100000000, 0.0006162500000000 ] - [ -0.0000594000000000, 0.0010417300000000, -0.0000751300000000 ] - [ -0.0000183100000000, -0.0013148100000000, -0.0000570500000000 ]- atom: 97 displacement: [ 0.0049439770564842, 0.0000000000000000, -0.0086923581877968 ] forces: - [ -0.0029162900000000, -0.0008741700000000, -0.0030568700000000 ] - [ -0.0022498900000000, 0.0006167600000000, -0.0022270500000000 ] - [ -0.0003553200000000, 0.0005866100000000, 0.0012217200000000 ] - [ -0.0001866600000000, 0.0001473700000000, -0.0010474400000000 ] - [ 0.0002741000000000, -0.0021337900000000, -0.0000278300000000 ] - [ 0.0000572800000000, 0.0003789900000000, -0.0006353700000000 ] - [ 0.0014799600000000, -0.0023552500000000, 0.0000657700000000 ] - [ 0.0003228700000000, 0.0017684300000000, -0.0013959100000000 ] - [ -0.0013169700000000, -0.0050166200000000, 0.0012589300000000 ] - [ -0.0001710600000000, 0.0014245700000000, -0.0002943100000000 ] - [ -0.0000245800000000, -0.0000878700000000, 0.0002265800000000 ] - [ -0.0001419700000000, -0.0001460000000000, 0.0001021700000000 ] - [ 0.0039670300000000, 0.0006477600000000, -0.0026775000000000 ] - [ 0.0007379700000000, 0.0039342400000000, -0.0093303100000000 ] - [ 0.0022014300000000, -0.0002565700000000, 0.0026023700000000 ] - [ 0.0005598800000000, -0.0017656400000000, -0.0023220100000000 ] - [ 0.0001200900000000, -0.0016709400000000, -0.0080720700000000 ] - [ 0.0012953700000000, 0.0008643500000000, -0.0024164900000000 ] - [ -0.0001911600000000, 0.0010330700000000, 0.0020152600000000 ] - [ 0.0005491800000000, -0.0005709500000000, -0.0024150400000000 ] - [ -0.0002164800000000, -0.0000411200000000, -0.0002798800000000 ] - [ -0.0001725300000000, -0.0002948200000000, -0.0001766600000000 ] - [ 0.0005666900000000, 0.0002150900000000, 0.0013748400000000 ] - [ -0.0006605700000000, 0.0002482600000000, -0.0010429500000000 ] - [ 0.0007520000000000, 0.0020096700000000, 0.0003141500000000 ] - [ 0.0001936300000000, -0.0016404500000000, -0.0006853000000000 ] - [ 0.0003331800000000, 0.0012080700000000, -0.0004355000000000 ] - [ 0.0001803600000000, 0.0004202500000000, -0.0003351900000000 ] - [ 0.0000771400000000, 0.0017548700000000, 0.0002766300000000 ] - [ -0.0004495400000000, -0.0015304500000000, 0.0002629700000000 ] - [ 0.0003080400000000, 0.0037280900000000, 0.0011234400000000 ] - [ -0.0000020400000000, -0.0008445600000000, -0.0005544900000000 ] - [ 0.0007440400000000, -0.0004131300000000, 0.0006596600000000 ] - [ 0.0007264700000000, 0.0000284300000000, 0.0001937600000000 ] - [ 0.0007726200000000, 0.0006823600000000, 0.0014978000000000 ] - [ 0.0007337400000000, -0.0001664700000000, -0.0002492000000000 ] - [ 0.0000666200000000, 0.0001432800000000, -0.0005892200000000 ] - [ -0.0002591600000000, -0.0000118000000000, 0.0001944600000000 ] - [ -0.0006364900000000, 0.0001624900000000, 0.0017578600000000 ] - [ 0.0001750400000000, -0.0001783100000000, -0.0011533500000000 ] - [ -0.0063856700000000, 0.0019353300000000, -0.0077899900000000 ] - [ 0.0003479300000000, -0.0006779000000000, 0.0055372600000000 ] - [ -0.0005468900000000, -0.0000010500000000, -0.0085358900000000 ] - [ -0.0001048400000000, 0.0003974700000000, 0.0049831800000000 ] - [ -0.0002525000000000, 0.0003495900000000, -0.0018759100000000 ] - [ -0.0005700100000000, 0.0002555000000000, 0.0025735800000000 ] - [ 0.0020420800000000, -0.0022833900000000, -0.0069553400000000 ] - [ -0.0001281600000000, -0.0010441300000000, 0.0034361900000000 ] - [ 0.0008138000000000, -0.0020252000000000, -0.0010348500000000 ] - [ 0.0003465600000000, 0.0000716000000000, 0.0010518300000000 ] - [ 0.0019049900000000, 0.0014229600000000, 0.0031222000000000 ] - [ -0.0015202000000000, 0.0060971400000000, -0.0078096900000000 ] - [ -0.0010100600000000, 0.0010735300000000, -0.0080362600000000 ] - [ -0.0001004500000000, 0.0011936900000000, 0.0050473500000000 ] - [ 0.0022674700000000, 0.0069909500000000, -0.0098453700000000 ] - [ -0.0040309800000000, 0.0004194700000000, 0.0038784300000000 ] - [ -0.0122274900000000, 0.0001907300000000, -0.0089549800000000 ] - [ 0.0016973400000000, -0.0008655600000000, 0.0082966200000000 ] - [ 0.0000233400000000, -0.0023790200000000, 0.0054063100000000 ] - [ -0.0033178800000000, 0.0025570500000000, -0.0024806100000000 ] - [ -0.0040490400000000, -0.0011413600000000, 0.0043303100000000 ] - [ 0.0004318700000000, -0.0023751400000000, -0.0062576900000000 ] - [ -0.0042429900000000, -0.0048320000000000, -0.0008144600000000 ] - [ -0.0002999900000000, 0.0055354400000000, 0.0038620400000000 ] - [ -0.0001227800000000, 0.0005370200000000, -0.0006684900000000 ] - [ -0.0001571200000000, 0.0003138700000000, 0.0003813900000000 ] - [ -0.0004537800000000, -0.0000016000000000, -0.0002009800000000 ] - [ -0.0004852700000000, 0.0002469600000000, 0.0013184400000000 ] - [ -0.0006219600000000, -0.0021010200000000, -0.0015068700000000 ] - [ -0.0002302300000000, 0.0009293200000000, 0.0017206700000000 ] - [ -0.0004802200000000, -0.0014460600000000, 0.0004341300000000 ] - [ -0.0000477100000000, 0.0008182800000000, 0.0003294600000000 ] - [ -0.0004584400000000, 0.0012925700000000, -0.0015077400000000 ] - [ 0.0004874800000000, -0.0015827000000000, 0.0013557100000000 ] - [ 0.0004771500000000, -0.0001072800000000, 0.0004383300000000 ] - [ 0.0002914500000000, 0.0015506900000000, -0.0003063700000000 ] - [ 0.0002857900000000, 0.0001368800000000, -0.0005088400000000 ] - [ -0.0000127600000000, 0.0005636200000000, 0.0006166300000000 ] - [ 0.0006035800000000, 0.0002302500000000, -0.0002528100000000 ] - [ -0.0000643600000000, -0.0008890700000000, 0.0005961200000000 ] - [ -0.0003492900000000, 0.0000740900000000, -0.0009972300000000 ] - [ 0.0000243100000000, 0.0005671300000000, 0.0002821200000000 ] - [ -0.0000508600000000, 0.0003509500000000, 0.0003271100000000 ] - [ 0.0001460400000000, -0.0024363400000000, -0.0005426500000000 ] - [ -0.0005690300000000, 0.0005656000000000, 0.0011254200000000 ] - [ -0.0002011700000000, -0.0008541000000000, 0.0005346800000000 ] - [ 0.0009370000000000, 0.0028702900000000, -0.0007789300000000 ] - [ -0.0003788500000000, -0.0014564700000000, 0.0005260300000000 ] - [ 0.0327455000000000, -0.0037900800000000, 0.0246824300000000 ] - [ -0.0027732500000000, -0.0013101300000000, -0.0121047400000000 ] - [ 0.0125680600000000, 0.0133114000000000, -0.0131318300000000 ] - [ 0.0116042500000000, -0.0141112300000000, -0.0090830300000000 ] - [ -0.0000106500000000, -0.0007691900000000, 0.0010268600000000 ] - [ -0.0001159600000000, -0.0010218900000000, -0.0013292700000000 ] - [ -0.0009789900000000, -0.0006630600000000, -0.0011456400000000 ] - [ -0.0002789200000000, 0.0023628800000000, -0.0009156800000000 ] - [ -0.0243799400000000, -0.0071998400000000, 0.0654638700000000 ] - [ 0.0007493400000000, 0.0005040400000000, -0.0063540000000000 ] - [ -0.0033633200000000, 0.0026303900000000, -0.0013021900000000 ] - [ -0.0032449100000000, -0.0030621600000000, -0.0012727100000000 ] - [ 0.0001334300000000, 0.0001143500000000, 0.0006534000000000 ] - [ 0.0000316400000000, 0.0001698400000000, -0.0013752200000000 ] - [ 0.0002256100000000, -0.0012828100000000, -0.0006813400000000 ] - [ 0.0001869000000000, 0.0010747500000000, -0.0007089300000000 ]